REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3czk_1_A DATA FIRST_RESID 6 DATA SEQUENCE IDPPALRAAF AGPLDPQHAE VLLSRYDQHA SRLLDALHAL YGQRADYASW DATA SEQUENCE LAQWLGEVGD IARQRPQALQ TLDSTRHAGW FGQPHMLGYS AYADRFAGTL DATA SEQUENCE QGVAERVPYL QELGVRYLHL LPFLRARAGD NDGGFAVSDY GQVEPSLGSN DATA SEQUENCE DDLVALTSRL REAGISLCAD FVLNHTADDH AWAQAARAGD ARYLDYYHHF DATA SEQUENCE ADRTVPDRYE ATLGQVFPHT APGNFTWVDD TAQWMWTTFY PYQWDLNWSN DATA SEQUENCE PAVFGDMALA MLRLANLGVE AFRLDSTAYL WKRIGTDCMN QSEAHTLLVA DATA SEQUENCE LRAVTDIVAP AVVMKAQAIV PMTQLPPYFG SGVDEGHECH LAYHSTLMAA DATA SEQUENCE GWSALALQRG DILHNVIAHS PPLPRHCAWL SYVRCHDDIG WNVLQHEACG DATA SEQUENCE NAAQPPFSLR DVARFYANAV PGSYARGESF QXXXXGVHGT NGMAAALAGI DATA SEQUENCE QAAQEAGDAA ALAVAVDRLV LLYAIALAMP GVPLIYMGDE LAMVNDPGYR DATA SEQUENCE DDPHRQHEGR WLHRPAMDWQ LAAQRHDAKS LSGTVYRRLR GLIRQRAALG DATA SEQUENCE ALAADQALAS IALNDPRVFA LTRGDSFIAL HNFSDQLLDV ELAAIGVDGW DATA SEQUENCE TLLXXXXXXX XXXXRGDGSI VLPPYGVRWL QRG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 I HA 0.000 nan 4.170 nan 0.000 0.288 6 I C 0.000 176.171 176.117 0.090 0.000 1.063 6 I CA 0.000 61.383 61.300 0.138 0.000 1.566 6 I CB 0.000 38.109 38.000 0.181 0.000 1.214 7 D N 2.405 122.853 120.400 0.081 0.000 2.438 7 D HA 0.563 5.202 4.640 -0.001 0.000 0.257 7 D C -2.128 174.214 176.300 0.069 0.000 1.148 7 D CA -2.033 52.005 54.000 0.063 0.000 0.902 7 D CB 1.800 42.631 40.800 0.052 0.000 1.062 7 D HN 0.189 nan 8.370 nan 0.000 0.518 8 P HA -0.183 nan 4.420 nan 0.000 0.218 8 P C -1.391 175.965 177.300 0.092 0.000 1.165 8 P CA 1.896 65.052 63.100 0.093 0.000 0.922 8 P CB -0.597 31.150 31.700 0.077 0.000 0.794 9 P HA -0.178 nan 4.420 nan 0.000 0.219 9 P C 1.205 178.525 177.300 0.033 0.000 1.146 9 P CA 2.133 65.261 63.100 0.047 0.000 0.808 9 P CB -0.459 31.262 31.700 0.034 0.000 0.779 10 A N 0.098 122.940 122.820 0.038 0.000 1.897 10 A HA -0.059 4.261 4.320 -0.001 0.000 0.215 10 A C 2.445 180.046 177.584 0.029 0.000 1.181 10 A CA 1.057 53.111 52.037 0.028 0.000 0.620 10 A CB -1.419 17.600 19.000 0.032 0.000 0.821 10 A HN 0.127 nan 8.150 nan 0.000 0.443 11 L N -1.105 120.153 121.223 0.057 0.000 2.093 11 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 11 L C 2.744 179.646 176.870 0.053 0.000 1.085 11 L CA 1.479 56.365 54.840 0.077 0.000 0.755 11 L CB -0.454 41.685 42.059 0.134 0.000 0.904 11 L HN 0.427 nan 8.230 nan 0.000 0.435 12 R N 0.565 121.080 120.500 0.025 0.000 2.092 12 R HA -0.145 4.195 4.340 -0.001 0.000 0.231 12 R C 2.298 178.511 176.300 -0.145 0.000 1.119 12 R CA 1.326 57.307 56.100 -0.198 0.000 0.970 12 R CB -0.156 30.090 30.300 -0.090 0.000 0.864 12 R HN 0.330 nan 8.270 nan 0.000 0.440 13 A N 0.559 123.343 122.820 -0.060 0.000 1.969 13 A HA -0.026 4.293 4.320 -0.001 0.000 0.218 13 A C 2.281 179.827 177.584 -0.063 0.000 1.169 13 A CA 1.387 53.390 52.037 -0.056 0.000 0.635 13 A CB -0.526 18.455 19.000 -0.032 0.000 0.810 13 A HN 0.512 nan 8.150 nan 0.000 0.445 14 A N -0.882 121.913 122.820 -0.042 0.000 1.877 14 A HA -0.028 4.292 4.320 -0.001 0.000 0.216 14 A C 2.032 179.574 177.584 -0.071 0.000 1.186 14 A CA 1.595 53.603 52.037 -0.048 0.000 0.620 14 A CB -0.725 18.259 19.000 -0.027 0.000 0.822 14 A HN 0.680 nan 8.150 nan 0.000 0.443 15 F N 1.067 120.886 119.950 -0.219 0.000 2.075 15 F HA 0.171 4.698 4.527 -0.001 0.000 0.297 15 F C 1.642 177.304 175.800 -0.229 0.000 1.113 15 F CA 0.457 58.301 58.000 -0.261 0.000 1.218 15 F CB -0.674 38.084 39.000 -0.404 0.000 0.984 15 F HN 0.294 nan 8.300 nan 0.000 0.472 16 A N -0.520 122.137 122.820 -0.271 0.000 2.292 16 A HA 0.489 4.808 4.320 -0.001 0.000 0.265 16 A C 1.520 178.957 177.584 -0.246 0.000 1.133 16 A CA 0.366 52.221 52.037 -0.302 0.000 0.807 16 A CB -0.796 18.120 19.000 -0.140 0.000 1.102 16 A HN 1.251 nan 8.150 nan 0.000 0.502 17 G N -1.448 107.237 108.800 -0.191 0.000 3.922 17 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.208 17 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.208 17 G C -1.080 173.725 174.900 -0.158 0.000 1.491 17 G CA 0.312 45.326 45.100 -0.144 0.000 1.017 17 G HN 0.676 nan 8.290 nan 0.000 0.603 18 P HA 0.287 nan 4.420 nan 0.000 0.237 18 P C 0.783 177.966 177.300 -0.195 0.000 1.178 18 P CA 0.290 63.280 63.100 -0.184 0.000 0.766 18 P CB -0.038 31.537 31.700 -0.210 0.000 0.876 19 L N 0.051 121.134 121.223 -0.233 0.000 2.417 19 L HA 0.177 4.516 4.340 -0.001 0.000 0.268 19 L C 0.718 177.526 176.870 -0.104 0.000 1.158 19 L CA -0.659 54.063 54.840 -0.196 0.000 0.819 19 L CB 0.048 41.969 42.059 -0.231 0.000 1.112 19 L HN -0.080 nan 8.230 nan 0.000 0.458 20 D N 2.590 122.954 120.400 -0.060 0.000 2.308 20 D HA 0.149 4.788 4.640 -0.001 0.000 0.251 20 D C -1.806 174.510 176.300 0.026 0.000 1.127 20 D CA -1.503 52.493 54.000 -0.005 0.000 0.876 20 D CB 1.500 42.319 40.800 0.032 0.000 1.176 20 D HN 0.175 nan 8.370 nan 0.000 0.446 21 P HA -0.182 nan 4.420 nan 0.000 0.218 21 P C 0.957 178.262 177.300 0.008 0.000 1.146 21 P CA 1.063 64.165 63.100 0.002 0.000 0.813 21 P CB 0.124 31.820 31.700 -0.006 0.000 0.778 22 Q N -1.637 118.185 119.800 0.037 0.000 2.245 22 Q HA -0.152 4.188 4.340 -0.001 0.000 0.201 22 Q C 0.854 176.748 176.000 -0.176 0.000 0.955 22 Q CA 1.246 57.025 55.803 -0.040 0.000 0.870 22 Q CB -0.044 28.691 28.738 -0.005 0.000 0.945 22 Q HN 0.400 nan 8.270 nan 0.000 0.461 23 H N -2.089 116.971 119.070 -0.017 0.000 2.893 23 H HA 0.337 4.892 4.556 -0.001 0.000 0.270 23 H C 1.320 176.646 175.328 -0.004 0.000 1.095 23 H CA 0.439 56.483 56.048 -0.007 0.000 1.186 23 H CB 0.591 30.347 29.762 -0.010 0.000 1.562 23 H HN 0.270 nan 8.280 nan 0.000 0.536 24 A N 0.910 123.774 122.820 0.074 0.000 1.948 24 A HA -0.279 4.040 4.320 -0.001 0.000 0.220 24 A C 2.134 179.747 177.584 0.049 0.000 1.177 24 A CA 2.156 54.213 52.037 0.032 0.000 0.636 24 A CB -0.266 18.731 19.000 -0.004 0.000 0.815 24 A HN 0.547 nan 8.150 nan 0.000 0.449 25 E N -0.464 119.757 120.200 0.035 0.000 2.047 25 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 25 E C 1.897 178.536 176.600 0.065 0.000 0.987 25 E CA 1.344 57.767 56.400 0.038 0.000 0.799 25 E CB -0.115 29.592 29.700 0.012 0.000 0.752 25 E HN 0.312 nan 8.360 nan 0.000 0.449 26 V N 1.129 121.083 119.914 0.066 0.000 2.295 26 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 26 V C 2.430 178.605 176.094 0.135 0.000 1.049 26 V CA 1.523 63.876 62.300 0.088 0.000 1.024 26 V CB -0.411 31.462 31.823 0.083 0.000 0.648 26 V HN 0.314 nan 8.190 nan 0.000 0.447 27 L N -0.899 120.422 121.223 0.164 0.000 2.027 27 L HA -0.162 4.177 4.340 -0.001 0.000 0.206 27 L C 2.351 179.408 176.870 0.310 0.000 1.074 27 L CA 1.516 56.503 54.840 0.244 0.000 0.745 27 L CB -0.441 41.764 42.059 0.243 0.000 0.898 27 L HN 0.269 nan 8.230 nan 0.000 0.433 28 L N -1.282 120.091 121.223 0.250 0.000 2.191 28 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 28 L C 2.768 179.765 176.870 0.212 0.000 1.103 28 L CA 1.063 56.047 54.840 0.241 0.000 0.769 28 L CB -0.440 41.698 42.059 0.131 0.000 0.908 28 L HN 0.272 nan 8.230 nan 0.000 0.438 29 S N -0.064 115.732 115.700 0.159 0.000 2.368 29 S HA -0.134 4.335 4.470 -0.001 0.000 0.224 29 S C 2.137 176.815 174.600 0.130 0.000 1.029 29 S CA 0.980 59.252 58.200 0.119 0.000 0.988 29 S CB -0.001 63.252 63.200 0.088 0.000 0.838 29 S HN 0.344 nan 8.310 nan 0.000 0.462 30 R N -0.867 119.740 120.500 0.177 0.000 2.092 30 R HA -0.062 4.277 4.340 -0.001 0.000 0.231 30 R C 2.243 178.678 176.300 0.224 0.000 1.119 30 R CA 1.542 57.779 56.100 0.227 0.000 0.970 30 R CB -0.642 29.809 30.300 0.251 0.000 0.864 30 R HN 0.603 nan 8.270 nan 0.000 0.440 31 Y N 2.325 122.656 120.300 0.052 0.000 2.207 31 Y HA -0.222 4.328 4.550 -0.001 0.000 0.287 31 Y C 1.576 177.441 175.900 -0.057 0.000 1.156 31 Y CA 1.553 59.599 58.100 -0.090 0.000 1.182 31 Y CB -0.114 38.194 38.460 -0.252 0.000 0.979 31 Y HN -0.003 nan 8.280 nan 0.000 0.521 32 D N -0.530 119.962 120.400 0.153 0.000 2.224 32 D HA -0.126 4.513 4.640 -0.001 0.000 0.205 32 D C 1.647 177.887 176.300 -0.101 0.000 0.965 32 D CA 0.929 54.963 54.000 0.057 0.000 0.852 32 D CB 0.009 40.864 40.800 0.093 0.000 0.947 32 D HN 0.458 nan 8.370 nan 0.000 0.494 33 Q N -0.608 119.086 119.800 -0.176 0.000 2.384 33 Q HA 0.042 4.381 4.340 -0.001 0.000 0.207 33 Q C 1.203 176.880 176.000 -0.538 0.000 0.904 33 Q CA 0.582 56.176 55.803 -0.349 0.000 0.933 33 Q CB 0.380 28.874 28.738 -0.406 0.000 1.077 33 Q HN 0.561 nan 8.270 nan 0.000 0.522 34 H N -1.518 117.455 119.070 -0.161 0.000 3.205 34 H HA 0.343 4.898 4.556 -0.001 0.000 0.252 34 H C 1.634 176.808 175.328 -0.256 0.000 1.015 34 H CA 0.590 56.532 56.048 -0.177 0.000 1.192 34 H CB 0.439 30.131 29.762 -0.116 0.000 1.474 34 H HN 0.146 nan 8.280 nan 0.000 0.484 35 A N 1.333 123.944 122.820 -0.348 0.000 1.903 35 A HA -0.240 4.079 4.320 -0.001 0.000 0.219 35 A C 2.560 179.997 177.584 -0.246 0.000 1.191 35 A CA 2.290 54.009 52.037 -0.531 0.000 0.638 35 A CB -0.775 17.538 19.000 -1.146 0.000 0.823 35 A HN 0.281 nan 8.150 nan 0.000 0.451 36 S N -1.279 114.310 115.700 -0.186 0.000 2.374 36 S HA -0.206 4.264 4.470 -0.001 0.000 0.227 36 S C 2.110 176.666 174.600 -0.073 0.000 1.037 36 S CA 1.518 59.656 58.200 -0.102 0.000 1.024 36 S CB -0.345 62.799 63.200 -0.094 0.000 0.861 36 S HN 0.629 nan 8.310 nan 0.000 0.456 37 R N 0.377 120.825 120.500 -0.087 0.000 2.073 37 R HA -0.108 4.231 4.340 -0.001 0.000 0.234 37 R C 2.351 178.637 176.300 -0.023 0.000 1.134 37 R CA 1.459 57.518 56.100 -0.067 0.000 0.952 37 R CB -0.550 29.694 30.300 -0.094 0.000 0.850 37 R HN 0.338 nan 8.270 nan 0.000 0.433 38 L N 1.351 122.570 121.223 -0.006 0.000 1.990 38 L HA -0.204 4.135 4.340 -0.001 0.000 0.213 38 L C 2.003 178.922 176.870 0.081 0.000 1.072 38 L CA 1.786 56.660 54.840 0.057 0.000 0.755 38 L CB -0.620 41.486 42.059 0.078 0.000 0.889 38 L HN 0.242 nan 8.230 nan 0.000 0.432 39 L N -0.771 120.497 121.223 0.074 0.000 2.046 39 L HA -0.197 4.142 4.340 -0.001 0.000 0.208 39 L C 2.292 179.243 176.870 0.134 0.000 1.077 39 L CA 1.310 56.236 54.840 0.143 0.000 0.747 39 L CB -0.867 41.258 42.059 0.110 0.000 0.896 39 L HN 0.294 nan 8.230 nan 0.000 0.432 40 D N 0.195 120.624 120.400 0.049 0.000 2.117 40 D HA -0.131 4.508 4.640 -0.001 0.000 0.198 40 D C 2.248 178.554 176.300 0.010 0.000 0.982 40 D CA 1.468 55.483 54.000 0.025 0.000 0.828 40 D CB -0.023 40.763 40.800 -0.023 0.000 0.967 40 D HN 0.301 nan 8.370 nan 0.000 0.464 41 A N 0.856 123.663 122.820 -0.021 0.000 1.877 41 A HA -0.126 4.193 4.320 -0.001 0.000 0.216 41 A C 2.412 179.912 177.584 -0.140 0.000 1.186 41 A CA 0.962 52.945 52.037 -0.089 0.000 0.620 41 A CB -0.856 18.099 19.000 -0.075 0.000 0.822 41 A HN 0.198 nan 8.150 nan 0.000 0.443 42 L N -1.281 119.915 121.223 -0.045 0.000 2.083 42 L HA -0.214 4.126 4.340 -0.001 0.000 0.209 42 L C 2.746 179.609 176.870 -0.011 0.000 1.083 42 L CA 1.622 56.469 54.840 0.012 0.000 0.752 42 L CB -0.728 41.496 42.059 0.275 0.000 0.899 42 L HN 0.633 nan 8.230 nan 0.000 0.433 43 H N 0.500 119.530 119.070 -0.068 0.000 2.353 43 H HA -0.143 4.413 4.556 -0.001 0.000 0.300 43 H C 2.114 177.249 175.328 -0.323 0.000 1.090 43 H CA 1.575 57.447 56.048 -0.292 0.000 1.327 43 H CB 0.335 30.005 29.762 -0.152 0.000 1.383 43 H HN 0.313 nan 8.280 nan 0.000 0.508 44 A N 1.145 123.820 122.820 -0.240 0.000 1.978 44 A HA -0.098 4.222 4.320 -0.001 0.000 0.220 44 A C 2.800 180.111 177.584 -0.456 0.000 1.170 44 A CA 1.273 53.134 52.037 -0.294 0.000 0.636 44 A CB -0.671 18.204 19.000 -0.208 0.000 0.810 44 A HN 0.431 nan 8.150 nan 0.000 0.448 45 L N -3.011 117.860 121.223 -0.586 0.000 2.102 45 L HA -0.041 4.299 4.340 -0.001 0.000 0.202 45 L C 1.533 177.879 176.870 -0.874 0.000 1.076 45 L CA 1.059 55.370 54.840 -0.881 0.000 0.761 45 L CB -0.145 41.121 42.059 -1.322 0.000 0.921 45 L HN 0.559 nan 8.230 nan 0.000 0.444 46 Y N -2.092 118.002 120.300 -0.343 0.000 2.672 46 Y HA 0.319 4.868 4.550 -0.001 0.000 0.252 46 Y C 2.004 177.550 175.900 -0.590 0.000 1.132 46 Y CA -0.153 57.745 58.100 -0.337 0.000 1.228 46 Y CB -0.581 37.733 38.460 -0.243 0.000 1.310 46 Y HN -0.065 nan 8.280 nan 0.000 0.549 47 G N 0.437 108.703 108.800 -0.890 0.000 2.475 47 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.220 47 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.220 47 G C 1.438 176.005 174.900 -0.555 0.000 1.125 47 G CA 0.962 45.328 45.100 -1.222 0.000 0.755 47 G HN 0.201 nan 8.290 nan 0.000 0.565 48 Q N 0.126 119.709 119.800 -0.362 0.000 2.472 48 Q HA 0.107 4.446 4.340 -0.001 0.000 0.208 48 Q C 1.073 177.040 176.000 -0.055 0.000 0.958 48 Q CA 0.165 55.876 55.803 -0.154 0.000 0.932 48 Q CB 0.066 28.732 28.738 -0.121 0.000 1.007 48 Q HN 0.477 nan 8.270 nan 0.000 0.508 49 R N -0.032 120.448 120.500 -0.034 0.000 2.491 49 R HA 0.293 4.633 4.340 -0.001 0.000 0.283 49 R C 1.230 177.584 176.300 0.089 0.000 1.072 49 R CA 0.307 56.427 56.100 0.034 0.000 1.048 49 R CB 0.569 30.895 30.300 0.043 0.000 0.983 49 R HN 0.044 nan 8.270 nan 0.000 0.450 50 A N 2.720 125.582 122.820 0.070 0.000 1.978 50 A HA -0.201 4.118 4.320 -0.001 0.000 0.220 50 A C 1.025 178.677 177.584 0.113 0.000 1.170 50 A CA 1.889 53.976 52.037 0.083 0.000 0.636 50 A CB -0.346 18.688 19.000 0.056 0.000 0.810 50 A HN 0.866 nan 8.150 nan 0.000 0.448 51 D N -2.613 117.855 120.400 0.113 0.000 2.395 51 D HA 0.064 4.703 4.640 -0.001 0.000 0.226 51 D C 0.923 177.348 176.300 0.209 0.000 1.146 51 D CA -0.378 53.701 54.000 0.131 0.000 0.830 51 D CB -0.508 40.346 40.800 0.089 0.000 0.958 51 D HN 0.448 nan 8.370 nan 0.000 0.501 52 Y N 2.152 122.520 120.300 0.112 0.000 2.036 52 Y HA -0.172 4.378 4.550 -0.001 0.000 0.273 52 Y C 2.547 178.616 175.900 0.281 0.000 1.135 52 Y CA 2.311 60.521 58.100 0.183 0.000 1.106 52 Y CB -0.817 37.732 38.460 0.149 0.000 0.976 52 Y HN 0.069 nan 8.280 nan 0.000 0.483 53 A N -0.749 122.128 122.820 0.095 0.000 1.958 53 A HA -0.291 4.028 4.320 -0.001 0.000 0.221 53 A C 2.546 180.133 177.584 0.005 0.000 1.178 53 A CA 2.486 54.514 52.037 -0.016 0.000 0.642 53 A CB -1.517 17.549 19.000 0.110 0.000 0.816 53 A HN 0.589 nan 8.150 nan 0.000 0.453 54 S N -1.952 113.795 115.700 0.079 0.000 2.355 54 S HA -0.198 4.271 4.470 -0.001 0.000 0.222 54 S C 1.693 176.354 174.600 0.102 0.000 1.031 54 S CA 1.622 59.873 58.200 0.084 0.000 0.993 54 S CB -0.524 62.738 63.200 0.103 0.000 0.859 54 S HN 0.796 nan 8.310 nan 0.000 0.453 55 W N 1.685 122.960 121.300 -0.041 0.000 2.355 55 W HA -0.043 4.617 4.660 -0.001 0.000 0.309 55 W C 1.829 178.362 176.519 0.024 0.000 1.206 55 W CA 1.239 58.570 57.345 -0.023 0.000 1.284 55 W CB -0.832 28.580 29.460 -0.079 0.000 1.145 55 W HN 0.345 nan 8.180 nan 0.000 0.502 56 L N 2.133 123.242 121.223 -0.191 0.000 1.963 56 L HA -0.205 4.134 4.340 -0.001 0.000 0.220 56 L C 2.628 179.362 176.870 -0.227 0.000 1.076 56 L CA 3.312 57.899 54.840 -0.421 0.000 0.772 56 L CB -1.695 40.191 42.059 -0.289 0.000 0.892 56 L HN 0.167 nan 8.230 nan 0.000 0.435 57 A N -1.141 121.608 122.820 -0.118 0.000 1.892 57 A HA -0.351 3.968 4.320 -0.001 0.000 0.218 57 A C 2.239 179.773 177.584 -0.083 0.000 1.188 57 A CA 2.287 54.286 52.037 -0.063 0.000 0.631 57 A CB -0.908 18.075 19.000 -0.028 0.000 0.822 57 A HN 0.691 nan 8.150 nan 0.000 0.447 58 Q N -1.340 118.404 119.800 -0.092 0.000 2.030 58 Q HA -0.235 4.104 4.340 -0.001 0.000 0.204 58 Q C 1.846 177.786 176.000 -0.100 0.000 0.986 58 Q CA 2.438 58.198 55.803 -0.072 0.000 0.843 58 Q CB -0.715 28.005 28.738 -0.031 0.000 0.904 58 Q HN 0.711 nan 8.270 nan 0.000 0.420 59 W N 0.717 121.754 121.300 -0.438 0.000 2.317 59 W HA -0.191 4.469 4.660 -0.001 0.000 0.318 59 W C 1.654 178.040 176.519 -0.220 0.000 1.227 59 W CA 1.968 59.050 57.345 -0.439 0.000 1.269 59 W CB -0.570 28.313 29.460 -0.962 0.000 1.155 59 W HN 0.281 nan 8.180 nan 0.000 0.484 60 L N 0.624 121.651 121.223 -0.326 0.000 2.129 60 L HA -0.181 4.159 4.340 -0.001 0.000 0.212 60 L C 2.603 179.337 176.870 -0.227 0.000 1.087 60 L CA 1.547 56.170 54.840 -0.361 0.000 0.757 60 L CB -1.387 40.638 42.059 -0.057 0.000 0.896 60 L HN 0.299 nan 8.230 nan 0.000 0.434 61 G N -0.724 107.965 108.800 -0.185 0.000 2.408 61 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.217 61 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.217 61 G C 1.411 176.198 174.900 -0.189 0.000 1.150 61 G CA 0.348 45.353 45.100 -0.157 0.000 0.776 61 G HN 0.423 nan 8.290 nan 0.000 0.542 62 E N 0.056 120.129 120.200 -0.211 0.000 2.107 62 E HA -0.036 4.313 4.350 -0.001 0.000 0.191 62 E C 2.675 179.132 176.600 -0.239 0.000 0.982 62 E CA 0.579 56.872 56.400 -0.178 0.000 0.809 62 E CB -0.038 29.598 29.700 -0.107 0.000 0.756 62 E HN 0.288 nan 8.360 nan 0.000 0.459 63 V N 1.071 120.740 119.914 -0.407 0.000 2.343 63 V HA -0.201 3.918 4.120 -0.001 0.000 0.247 63 V C 2.358 178.363 176.094 -0.147 0.000 1.051 63 V CA 2.035 64.144 62.300 -0.319 0.000 1.036 63 V CB -0.906 30.617 31.823 -0.500 0.000 0.654 63 V HN 0.410 nan 8.190 nan 0.000 0.451 64 G N -0.972 107.677 108.800 -0.253 0.000 2.408 64 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.217 64 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.217 64 G C 1.440 176.132 174.900 -0.346 0.000 1.150 64 G CA 0.864 45.622 45.100 -0.570 0.000 0.776 64 G HN 0.515 nan 8.290 nan 0.000 0.542 65 D N 0.360 120.620 120.400 -0.233 0.000 2.178 65 D HA -0.087 4.552 4.640 -0.001 0.000 0.202 65 D C 2.388 178.615 176.300 -0.123 0.000 0.974 65 D CA 0.459 54.361 54.000 -0.162 0.000 0.841 65 D CB 0.061 40.791 40.800 -0.117 0.000 0.953 65 D HN 0.172 nan 8.370 nan 0.000 0.478 66 I N 1.342 121.848 120.570 -0.105 0.000 2.353 66 I HA -0.155 4.014 4.170 -0.001 0.000 0.248 66 I C 2.664 178.745 176.117 -0.060 0.000 1.119 66 I CA 0.549 61.812 61.300 -0.062 0.000 1.417 66 I CB -1.388 36.591 38.000 -0.036 0.000 1.078 66 I HN -0.079 nan 8.210 nan 0.000 0.421 67 A N 0.761 123.536 122.820 -0.076 0.000 1.933 67 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 67 A C 2.533 180.061 177.584 -0.093 0.000 1.175 67 A CA 1.644 53.650 52.037 -0.051 0.000 0.628 67 A CB -0.663 18.313 19.000 -0.039 0.000 0.814 67 A HN 0.355 nan 8.150 nan 0.000 0.444 68 R N -0.398 120.020 120.500 -0.136 0.000 2.115 68 R HA -0.103 4.236 4.340 -0.001 0.000 0.226 68 R C 1.976 178.201 176.300 -0.124 0.000 1.100 68 R CA 1.493 57.509 56.100 -0.140 0.000 0.980 68 R CB -0.208 30.007 30.300 -0.142 0.000 0.875 68 R HN 0.681 nan 8.270 nan 0.000 0.445 69 Q N 0.002 119.746 119.800 -0.093 0.000 2.435 69 Q HA -0.042 4.297 4.340 -0.001 0.000 0.207 69 Q C 0.236 176.196 176.000 -0.067 0.000 0.956 69 Q CA 0.125 55.885 55.803 -0.072 0.000 0.917 69 Q CB 0.051 28.759 28.738 -0.049 0.000 0.997 69 Q HN 0.103 nan 8.270 nan 0.000 0.497 70 R N 2.511 122.969 120.500 -0.070 0.000 2.473 70 R HA 0.034 4.373 4.340 -0.001 0.000 0.315 70 R C -2.392 173.862 176.300 -0.078 0.000 0.972 70 R CA -1.378 54.690 56.100 -0.054 0.000 1.047 70 R CB 0.284 30.560 30.300 -0.040 0.000 0.932 70 R HN -0.121 nan 8.270 nan 0.000 0.411 71 P HA -0.113 nan 4.420 nan 0.000 0.264 71 P C -0.252 177.012 177.300 -0.060 0.000 1.179 71 P CA 0.066 63.134 63.100 -0.053 0.000 0.763 71 P CB 0.713 32.394 31.700 -0.031 0.000 0.806 72 Q N 4.402 124.166 119.800 -0.061 0.000 2.112 72 Q HA -0.245 4.094 4.340 -0.001 0.000 0.206 72 Q C 1.922 177.920 176.000 -0.003 0.000 0.987 72 Q CA 2.604 58.387 55.803 -0.034 0.000 0.858 72 Q CB -1.196 27.543 28.738 0.001 0.000 0.905 72 Q HN 0.516 nan 8.270 nan 0.000 0.420 73 A N -0.059 122.755 122.820 -0.010 0.000 1.940 73 A HA -0.138 4.181 4.320 -0.001 0.000 0.219 73 A C 2.120 179.694 177.584 -0.016 0.000 1.176 73 A CA 1.552 53.584 52.037 -0.009 0.000 0.631 73 A CB -0.700 18.291 19.000 -0.015 0.000 0.814 73 A HN 0.465 nan 8.150 nan 0.000 0.446 74 L N -0.981 120.230 121.223 -0.021 0.000 2.179 74 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 74 L C 2.826 179.689 176.870 -0.012 0.000 1.096 74 L CA 0.979 55.805 54.840 -0.024 0.000 0.779 74 L CB -0.515 41.532 42.059 -0.020 0.000 0.922 74 L HN 0.484 nan 8.230 nan 0.000 0.443 75 Q N -0.575 119.223 119.800 -0.003 0.000 2.119 75 Q HA -0.158 4.181 4.340 -0.001 0.000 0.201 75 Q C 2.168 178.196 176.000 0.047 0.000 0.972 75 Q CA 1.867 57.685 55.803 0.026 0.000 0.847 75 Q CB -0.278 28.474 28.738 0.024 0.000 0.903 75 Q HN 0.452 nan 8.270 nan 0.000 0.433 76 T N 2.009 116.586 114.554 0.039 0.000 2.746 76 T HA -0.114 4.235 4.350 -0.001 0.000 0.267 76 T C 1.820 176.525 174.700 0.008 0.000 1.039 76 T CA 0.683 62.804 62.100 0.034 0.000 1.142 76 T CB -0.205 68.678 68.868 0.026 0.000 0.866 76 T HN 0.209 nan 8.240 nan 0.000 0.444 77 L N 0.919 122.131 121.223 -0.017 0.000 2.046 77 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 77 L C 2.195 179.035 176.870 -0.049 0.000 1.077 77 L CA 1.623 56.431 54.840 -0.055 0.000 0.747 77 L CB -0.450 41.555 42.059 -0.091 0.000 0.896 77 L HN 0.204 nan 8.230 nan 0.000 0.432 78 D N -0.565 119.823 120.400 -0.019 0.000 2.158 78 D HA -0.175 4.464 4.640 -0.001 0.000 0.197 78 D C 2.274 178.588 176.300 0.024 0.000 0.995 78 D CA 1.540 55.544 54.000 0.006 0.000 0.846 78 D CB 0.088 40.910 40.800 0.037 0.000 0.941 78 D HN 0.259 nan 8.370 nan 0.000 0.456 79 S N -0.778 114.940 115.700 0.031 0.000 2.458 79 S HA -0.055 4.415 4.470 -0.001 0.000 0.223 79 S C 2.067 176.687 174.600 0.034 0.000 1.019 79 S CA 1.216 59.439 58.200 0.038 0.000 0.937 79 S CB 0.164 63.390 63.200 0.044 0.000 0.788 79 S HN 0.490 nan 8.310 nan 0.000 0.511 80 T N -0.035 114.538 114.554 0.032 0.000 3.031 80 T HA 0.162 4.512 4.350 -0.001 0.000 0.254 80 T C 0.867 175.641 174.700 0.122 0.000 1.060 80 T CA -0.136 62.001 62.100 0.062 0.000 1.135 80 T CB -0.196 68.697 68.868 0.042 0.000 0.896 80 T HN 0.162 nan 8.240 nan 0.000 0.472 81 R N 1.453 121.981 120.500 0.048 0.000 2.640 81 R HA 0.036 4.375 4.340 -0.001 0.000 0.270 81 R C -0.904 175.526 176.300 0.217 0.000 1.024 81 R CA -0.016 56.110 56.100 0.044 0.000 1.085 81 R CB 0.098 30.278 30.300 -0.200 0.000 0.963 81 R HN 0.392 nan 8.270 nan 0.000 0.426 82 H N 1.584 120.688 119.070 0.057 0.000 2.473 82 H HA 0.318 4.873 4.556 -0.001 0.000 0.327 82 H C -0.027 175.403 175.328 0.170 0.000 1.105 82 H CA 0.017 56.126 56.048 0.101 0.000 1.280 82 H CB 1.688 31.517 29.762 0.111 0.000 1.450 82 H HN 0.809 nan 8.280 nan 0.000 0.492 83 A N 1.716 124.606 122.820 0.117 0.000 2.520 83 A HA 0.408 4.728 4.320 -0.001 0.000 0.235 83 A C 1.533 179.098 177.584 -0.031 0.000 1.065 83 A CA 0.494 52.484 52.037 -0.079 0.000 0.764 83 A CB -0.704 17.898 19.000 -0.663 0.000 1.002 83 A HN 1.180 nan 8.150 nan 0.000 0.502 84 G N 0.387 109.197 108.800 0.017 0.000 2.155 84 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.257 84 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.257 84 G C 0.916 175.515 174.900 -0.501 0.000 0.983 84 G CA 1.065 46.001 45.100 -0.272 0.000 0.676 84 G HN 1.644 nan 8.290 nan 0.000 0.528 85 W N 0.833 122.050 121.300 -0.139 0.000 2.325 85 W HA -0.107 4.553 4.660 -0.001 0.000 0.299 85 W C 1.881 178.323 176.519 -0.130 0.000 1.215 85 W CA 1.566 58.880 57.345 -0.052 0.000 1.244 85 W CB -1.612 27.904 29.460 0.092 0.000 1.140 85 W HN 0.711 nan 8.180 nan 0.000 0.523 86 F N 1.251 120.551 119.950 -1.083 0.000 2.641 86 F HA 0.424 4.950 4.527 -0.001 0.000 0.298 86 F C 1.965 177.465 175.800 -0.501 0.000 1.146 86 F CA 0.598 57.962 58.000 -1.059 0.000 1.464 86 F CB -1.408 36.757 39.000 -1.391 0.000 1.101 86 F HN -0.122 nan 8.300 nan 0.000 0.585 87 G N -0.052 108.174 108.800 -0.956 0.000 3.233 87 G HA2 0.090 4.049 3.960 -0.001 0.000 0.234 87 G HA3 0.090 4.049 3.960 -0.001 0.000 0.234 87 G C 0.419 175.112 174.900 -0.345 0.000 1.137 87 G CA -0.306 44.440 45.100 -0.589 0.000 0.763 87 G HN 0.133 nan 8.290 nan 0.000 0.549 88 Q N 0.725 120.339 119.800 -0.309 0.000 2.394 88 Q HA 0.132 4.471 4.340 -0.001 0.000 0.248 88 Q C -1.460 174.408 176.000 -0.221 0.000 0.992 88 Q CA -2.023 53.661 55.803 -0.198 0.000 0.888 88 Q CB 1.469 30.155 28.738 -0.087 0.000 1.257 88 Q HN 0.110 nan 8.270 nan 0.000 0.462 89 P HA -0.161 nan 4.420 nan 0.000 0.228 89 P C 0.642 177.948 177.300 0.009 0.000 1.151 89 P CA 1.392 64.468 63.100 -0.039 0.000 0.770 89 P CB 0.089 31.783 31.700 -0.009 0.000 0.786 90 H N -2.709 116.364 119.070 0.005 0.000 2.551 90 H HA 0.177 4.732 4.556 -0.001 0.000 0.266 90 H C 0.670 176.026 175.328 0.046 0.000 0.964 90 H CA -0.165 55.900 56.048 0.027 0.000 1.180 90 H CB -0.608 29.172 29.762 0.031 0.000 1.408 90 H HN 0.029 nan 8.280 nan 0.000 0.563 91 M N 2.356 121.767 119.600 -0.316 0.000 2.268 91 M HA 0.117 4.596 4.480 -0.001 0.000 0.349 91 M C -0.034 176.241 176.300 -0.042 0.000 1.485 91 M CA 0.179 55.379 55.300 -0.166 0.000 1.094 91 M CB 1.043 33.508 32.600 -0.226 0.000 1.843 91 M HN 0.214 nan 8.290 nan 0.000 0.460 92 L N 3.172 124.418 121.223 0.038 0.000 2.409 92 L HA 0.772 5.111 4.340 -0.001 0.000 0.272 92 L C -0.439 176.512 176.870 0.134 0.000 0.980 92 L CA -0.097 54.786 54.840 0.071 0.000 0.826 92 L CB 1.886 43.991 42.059 0.075 0.000 1.268 92 L HN 0.755 nan 8.230 nan 0.000 0.407 93 G N 3.091 111.972 108.800 0.134 0.000 2.410 93 G HA2 0.505 4.465 3.960 -0.001 0.000 0.330 93 G HA3 0.505 4.465 3.960 -0.001 0.000 0.330 93 G C -2.219 172.889 174.900 0.347 0.000 1.142 93 G CA -0.294 44.953 45.100 0.245 0.000 0.902 93 G HN 0.586 nan 8.290 nan 0.000 0.491 94 Y N 0.546 120.983 120.300 0.228 0.000 2.401 94 Y HA 0.571 5.120 4.550 -0.001 0.000 0.330 94 Y C -0.362 175.633 175.900 0.158 0.000 1.071 94 Y CA -0.953 57.240 58.100 0.155 0.000 1.049 94 Y CB 2.306 40.806 38.460 0.067 0.000 1.239 94 Y HN 0.646 nan 8.280 nan 0.000 0.437 95 S N 4.556 120.152 115.700 -0.174 0.000 2.473 95 S HA 0.979 5.449 4.470 -0.001 0.000 0.307 95 S C -1.169 173.238 174.600 -0.322 0.000 1.094 95 S CA 0.286 58.428 58.200 -0.097 0.000 1.070 95 S CB 0.838 64.154 63.200 0.193 0.000 1.019 95 S HN 1.207 nan 8.310 nan 0.000 0.480 96 A N 3.247 125.869 122.820 -0.330 0.000 2.586 96 A HA 0.622 4.941 4.320 -0.001 0.000 0.291 96 A C -2.185 175.280 177.584 -0.199 0.000 1.062 96 A CA -0.734 51.146 52.037 -0.263 0.000 0.666 96 A CB 0.492 19.330 19.000 -0.270 0.000 1.281 96 A HN 0.766 nan 8.150 nan 0.000 0.421 97 Y N 1.041 121.356 120.300 0.025 0.000 2.335 97 Y HA 0.411 4.960 4.550 -0.001 0.000 0.331 97 Y C 1.619 177.610 175.900 0.151 0.000 1.094 97 Y CA 0.813 58.965 58.100 0.087 0.000 1.253 97 Y CB 1.469 40.018 38.460 0.148 0.000 1.203 97 Y HN 0.884 nan 8.280 nan 0.000 0.508 98 A N 2.460 125.447 122.820 0.280 0.000 1.940 98 A HA -0.235 4.084 4.320 -0.001 0.000 0.219 98 A C 2.000 179.752 177.584 0.280 0.000 1.176 98 A CA 2.076 54.265 52.037 0.253 0.000 0.631 98 A CB -0.549 18.534 19.000 0.138 0.000 0.814 98 A HN 0.918 nan 8.150 nan 0.000 0.446 99 D N -0.596 119.954 120.400 0.250 0.000 2.091 99 D HA -0.188 4.452 4.640 -0.001 0.000 0.199 99 D C 1.690 178.103 176.300 0.189 0.000 0.980 99 D CA 1.022 55.129 54.000 0.178 0.000 0.831 99 D CB -0.546 40.325 40.800 0.119 0.000 0.987 99 D HN 0.290 nan 8.370 nan 0.000 0.460 100 R N -0.060 120.577 120.500 0.228 0.000 2.120 100 R HA -0.069 4.270 4.340 -0.001 0.000 0.234 100 R C 2.243 178.700 176.300 0.262 0.000 1.123 100 R CA 0.493 56.716 56.100 0.204 0.000 0.975 100 R CB -1.348 29.090 30.300 0.230 0.000 0.866 100 R HN 0.319 nan 8.270 nan 0.000 0.446 101 F N 0.384 120.444 119.950 0.183 0.000 2.187 101 F HA 0.143 4.669 4.527 -0.001 0.000 0.295 101 F C 1.181 177.214 175.800 0.387 0.000 1.091 101 F CA 1.365 59.502 58.000 0.228 0.000 1.308 101 F CB 0.218 39.367 39.000 0.247 0.000 1.030 101 F HN 0.025 nan 8.300 nan 0.000 0.487 102 A N -1.407 121.566 122.820 0.255 0.000 2.519 102 A HA 0.536 4.855 4.320 -0.001 0.000 0.236 102 A C 1.195 178.829 177.584 0.082 0.000 0.875 102 A CA 0.475 52.569 52.037 0.095 0.000 1.172 102 A CB -0.709 18.301 19.000 0.016 0.000 1.211 102 A HN 0.915 nan 8.150 nan 0.000 0.454 103 G N 0.404 109.272 108.800 0.112 0.000 4.148 103 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.221 103 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.221 103 G C 0.841 175.781 174.900 0.067 0.000 1.373 103 G CA 1.287 46.429 45.100 0.070 0.000 0.940 103 G HN 2.144 nan 8.290 nan 0.000 0.610 104 T N -2.171 112.416 114.554 0.054 0.000 2.838 104 T HA 0.729 5.079 4.350 -0.001 0.000 0.292 104 T C 1.320 176.043 174.700 0.039 0.000 1.113 104 T CA -0.052 62.072 62.100 0.041 0.000 1.008 104 T CB 1.552 70.429 68.868 0.014 0.000 1.259 104 T HN 0.403 nan 8.240 nan 0.000 0.520 105 L N 0.246 121.475 121.223 0.010 0.000 2.083 105 L HA -0.116 4.223 4.340 -0.001 0.000 0.209 105 L C 3.011 179.875 176.870 -0.009 0.000 1.083 105 L CA 1.455 56.282 54.840 -0.022 0.000 0.752 105 L CB -0.575 41.443 42.059 -0.068 0.000 0.899 105 L HN 0.767 nan 8.230 nan 0.000 0.433 106 Q N -0.431 119.364 119.800 -0.009 0.000 2.167 106 Q HA -0.112 4.227 4.340 -0.001 0.000 0.202 106 Q C 2.288 178.281 176.000 -0.012 0.000 0.970 106 Q CA 1.274 57.069 55.803 -0.014 0.000 0.855 106 Q CB -0.254 28.472 28.738 -0.020 0.000 0.911 106 Q HN 0.591 nan 8.270 nan 0.000 0.438 107 G N 0.239 109.034 108.800 -0.007 0.000 2.402 107 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.216 107 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.216 107 G C 1.498 176.403 174.900 0.008 0.000 1.162 107 G CA 0.703 45.787 45.100 -0.028 0.000 0.777 107 G HN 0.191 nan 8.290 nan 0.000 0.539 108 V N 1.643 121.613 119.914 0.093 0.000 2.343 108 V HA -0.163 3.956 4.120 -0.001 0.000 0.247 108 V C 3.337 179.523 176.094 0.152 0.000 1.051 108 V CA 2.019 64.452 62.300 0.222 0.000 1.036 108 V CB -0.895 31.054 31.823 0.211 0.000 0.654 108 V HN 0.473 nan 8.190 nan 0.000 0.451 109 A N -0.375 122.484 122.820 0.064 0.000 1.908 109 A HA -0.263 4.056 4.320 -0.001 0.000 0.218 109 A C 2.127 179.728 177.584 0.028 0.000 1.181 109 A CA 1.897 53.957 52.037 0.039 0.000 0.627 109 A CB -0.522 18.481 19.000 0.006 0.000 0.818 109 A HN 0.631 nan 8.150 nan 0.000 0.445 110 E N -0.869 119.326 120.200 -0.009 0.000 2.401 110 E HA -0.114 4.235 4.350 -0.001 0.000 0.199 110 E C 1.327 177.885 176.600 -0.069 0.000 1.023 110 E CA 0.352 56.720 56.400 -0.053 0.000 0.859 110 E CB 0.009 29.647 29.700 -0.103 0.000 0.780 110 E HN 0.321 nan 8.360 nan 0.000 0.523 111 R N 0.083 120.578 120.500 -0.009 0.000 2.362 111 R HA 0.089 4.428 4.340 -0.001 0.000 0.227 111 R C 1.883 178.321 176.300 0.230 0.000 0.905 111 R CA 0.070 56.190 56.100 0.033 0.000 1.067 111 R CB -0.027 30.293 30.300 0.032 0.000 1.078 111 R HN 0.055 nan 8.270 nan 0.000 0.516 112 V N 1.914 121.928 119.914 0.166 0.000 2.453 112 V HA -0.179 3.940 4.120 -0.001 0.000 0.252 112 V C -0.823 175.356 176.094 0.140 0.000 1.068 112 V CA 1.937 64.328 62.300 0.152 0.000 1.070 112 V CB -1.017 30.858 31.823 0.087 0.000 0.664 112 V HN 0.170 nan 8.190 nan 0.000 0.461 113 P HA -0.188 nan 4.420 nan 0.000 0.218 113 P C 1.535 178.937 177.300 0.170 0.000 1.148 113 P CA 1.365 64.533 63.100 0.112 0.000 0.822 113 P CB -0.097 31.652 31.700 0.082 0.000 0.784 114 Y N 0.445 120.818 120.300 0.122 0.000 2.163 114 Y HA -0.163 4.386 4.550 -0.001 0.000 0.288 114 Y C 1.958 177.937 175.900 0.133 0.000 1.136 114 Y CA 1.465 59.675 58.100 0.184 0.000 1.147 114 Y CB -1.053 37.623 38.460 0.359 0.000 0.987 114 Y HN -0.208 nan 8.280 nan 0.000 0.509 115 L N -0.172 121.118 121.223 0.112 0.000 2.046 115 L HA -0.262 4.077 4.340 -0.001 0.000 0.208 115 L C 2.491 179.309 176.870 -0.087 0.000 1.077 115 L CA 1.655 56.435 54.840 -0.099 0.000 0.747 115 L CB -0.763 41.292 42.059 -0.006 0.000 0.896 115 L HN 0.259 nan 8.230 nan 0.000 0.432 116 Q N -0.190 119.609 119.800 -0.002 0.000 2.124 116 Q HA -0.255 4.084 4.340 -0.001 0.000 0.202 116 Q C 2.173 178.170 176.000 -0.005 0.000 0.977 116 Q CA 1.553 57.363 55.803 0.011 0.000 0.850 116 Q CB -0.086 28.673 28.738 0.036 0.000 0.901 116 Q HN 0.493 nan 8.270 nan 0.000 0.429 117 E N 0.701 120.893 120.200 -0.013 0.000 2.106 117 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 117 E C 1.944 178.535 176.600 -0.016 0.000 0.984 117 E CA 0.474 56.880 56.400 0.012 0.000 0.806 117 E CB 0.027 29.751 29.700 0.040 0.000 0.750 117 E HN 0.313 nan 8.360 nan 0.000 0.458 118 L N -0.815 120.329 121.223 -0.132 0.000 2.141 118 L HA -0.065 4.274 4.340 -0.001 0.000 0.209 118 L C 1.351 178.145 176.870 -0.128 0.000 1.094 118 L CA 1.334 56.056 54.840 -0.198 0.000 0.763 118 L CB 0.029 41.883 42.059 -0.341 0.000 0.908 118 L HN 0.527 nan 8.230 nan 0.000 0.437 119 G N -0.962 107.798 108.800 -0.067 0.000 2.154 119 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.186 119 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.186 119 G C 0.074 174.990 174.900 0.026 0.000 1.000 119 G CA -0.018 45.077 45.100 -0.009 0.000 0.664 119 G HN 0.074 nan 8.290 nan 0.000 0.513 120 V N 1.201 121.120 119.914 0.008 0.000 2.599 120 V HA 0.348 4.467 4.120 -0.001 0.000 0.300 120 V C 1.419 177.582 176.094 0.115 0.000 1.034 120 V CA 0.401 62.741 62.300 0.066 0.000 1.115 120 V CB 1.307 33.145 31.823 0.024 0.000 0.934 120 V HN 0.355 nan 8.190 nan 0.000 0.485 121 R N 2.964 123.569 120.500 0.175 0.000 2.531 121 R HA 0.213 4.552 4.340 -0.001 0.000 0.316 121 R C -0.811 175.670 176.300 0.302 0.000 0.955 121 R CA -0.004 56.225 56.100 0.216 0.000 1.120 121 R CB 0.648 31.085 30.300 0.227 0.000 1.361 121 R HN 0.702 nan 8.270 nan 0.000 0.534 122 Y N 0.497 120.874 120.300 0.129 0.000 2.332 122 Y HA 0.468 5.018 4.550 -0.001 0.000 0.325 122 Y C -1.683 174.304 175.900 0.146 0.000 1.054 122 Y CA -1.453 56.729 58.100 0.137 0.000 1.119 122 Y CB 1.284 39.810 38.460 0.110 0.000 1.168 122 Y HN -0.105 nan 8.280 nan 0.000 0.439 123 L N 7.104 128.366 121.223 0.066 0.000 2.343 123 L HA 0.434 4.773 4.340 -0.001 0.000 0.278 123 L C -1.344 175.544 176.870 0.031 0.000 0.996 123 L CA -0.368 54.537 54.840 0.108 0.000 0.831 123 L CB 0.887 42.985 42.059 0.065 0.000 1.232 123 L HN 0.787 nan 8.230 nan 0.000 0.413 124 H N 6.302 125.389 119.070 0.028 0.000 2.640 124 H HA 0.385 4.940 4.556 -0.001 0.000 0.297 124 H C -1.308 174.033 175.328 0.023 0.000 1.073 124 H CA -0.836 55.223 56.048 0.019 0.000 1.305 124 H CB 0.841 30.681 29.762 0.130 0.000 1.404 124 H HN 0.602 nan 8.280 nan 0.000 0.459 125 L N 6.942 128.209 121.223 0.073 0.000 2.275 125 L HA 0.206 4.546 4.340 -0.001 0.000 0.288 125 L C 0.176 177.042 176.870 -0.007 0.000 1.046 125 L CA -0.612 54.211 54.840 -0.029 0.000 0.805 125 L CB 1.457 43.505 42.059 -0.017 0.000 1.193 125 L HN 0.569 nan 8.230 nan 0.000 0.426 126 L N 4.915 125.950 121.223 -0.313 0.000 2.479 126 L HA 0.099 4.438 4.340 -0.001 0.000 0.270 126 L C -1.796 175.038 176.870 -0.059 0.000 1.236 126 L CA -1.374 53.258 54.840 -0.347 0.000 0.823 126 L CB -0.010 41.585 42.059 -0.773 0.000 1.098 126 L HN 0.386 nan 8.230 nan 0.000 0.500 127 P HA -0.198 nan 4.420 nan 0.000 0.252 127 P C -0.533 176.705 177.300 -0.104 0.000 1.126 127 P CA 1.080 63.951 63.100 -0.382 0.000 0.777 127 P CB -0.148 31.166 31.700 -0.643 0.000 0.711 128 F N 1.897 121.823 119.950 -0.039 0.000 2.781 128 F HA 0.361 4.887 4.527 -0.001 0.000 0.322 128 F C -0.092 175.708 175.800 -0.002 0.000 1.108 128 F CA -0.665 57.335 58.000 -0.000 0.000 1.179 128 F CB -0.358 38.652 39.000 0.017 0.000 1.072 128 F HN -0.045 nan 8.300 nan 0.000 0.545 129 L N 1.204 122.296 121.223 -0.218 0.000 2.416 129 L HA 0.457 4.796 4.340 -0.001 0.000 0.262 129 L C 0.838 177.655 176.870 -0.089 0.000 1.093 129 L CA -1.133 53.640 54.840 -0.113 0.000 0.801 129 L CB 0.591 42.548 42.059 -0.170 0.000 1.191 129 L HN -0.021 nan 8.230 nan 0.000 0.459 130 R N 1.124 121.573 120.500 -0.086 0.000 2.486 130 R HA 0.101 4.441 4.340 -0.001 0.000 0.304 130 R C -0.315 175.906 176.300 -0.131 0.000 0.913 130 R CA -0.038 55.999 56.100 -0.106 0.000 1.124 130 R CB 0.069 30.286 30.300 -0.138 0.000 0.891 130 R HN 0.668 nan 8.270 nan 0.000 0.410 131 A N 3.795 126.556 122.820 -0.098 0.000 2.330 131 A HA 0.383 4.702 4.320 -0.001 0.000 0.329 131 A C -0.098 177.424 177.584 -0.103 0.000 1.135 131 A CA -0.793 51.190 52.037 -0.089 0.000 0.817 131 A CB 0.978 19.948 19.000 -0.050 0.000 1.269 131 A HN 0.785 nan 8.150 nan 0.000 0.469 132 R N 0.732 121.167 120.500 -0.108 0.000 2.640 132 R HA 0.285 4.624 4.340 -0.001 0.000 0.270 132 R C 0.376 176.583 176.300 -0.155 0.000 1.024 132 R CA 0.471 56.483 56.100 -0.147 0.000 1.085 132 R CB 0.282 30.469 30.300 -0.189 0.000 0.963 132 R HN 0.875 nan 8.270 nan 0.000 0.426 133 A N 2.925 125.659 122.820 -0.144 0.000 2.477 133 A HA 0.464 4.784 4.320 -0.001 0.000 0.246 133 A C 0.838 178.338 177.584 -0.141 0.000 1.078 133 A CA 0.657 52.621 52.037 -0.122 0.000 0.770 133 A CB 0.066 19.007 19.000 -0.099 0.000 1.011 133 A HN 1.101 nan 8.150 nan 0.000 0.494 134 G N 1.554 110.287 108.800 -0.112 0.000 2.513 134 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.227 134 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.227 134 G C -0.330 174.505 174.900 -0.108 0.000 1.176 134 G CA 0.249 45.299 45.100 -0.084 0.000 0.967 134 G HN 1.159 nan 8.290 nan 0.000 0.587 135 D N 1.814 122.126 120.400 -0.146 0.000 2.308 135 D HA 0.457 5.096 4.640 -0.001 0.000 0.251 135 D C 1.196 177.254 176.300 -0.403 0.000 1.127 135 D CA 0.320 54.249 54.000 -0.119 0.000 0.876 135 D CB 0.058 40.878 40.800 0.032 0.000 1.176 135 D HN 0.598 nan 8.370 nan 0.000 0.446 136 N N 2.207 120.823 118.700 -0.140 0.000 2.305 136 N HA 0.066 4.806 4.740 -0.001 0.000 0.248 136 N C -0.648 174.961 175.510 0.165 0.000 1.290 136 N CA -0.422 52.590 53.050 -0.065 0.000 0.873 136 N CB 0.396 38.855 38.487 -0.047 0.000 1.261 136 N HN 0.273 nan 8.380 nan 0.000 0.504 137 D N 1.691 122.172 120.400 0.134 0.000 2.737 137 D HA -0.155 4.484 4.640 -0.001 0.000 0.238 137 D C 1.005 177.508 176.300 0.338 0.000 1.157 137 D CA 1.410 55.485 54.000 0.125 0.000 0.694 137 D CB -1.520 39.346 40.800 0.110 0.000 1.021 137 D HN 0.692 nan 8.370 nan 0.000 0.420 138 G N 0.126 109.145 108.800 0.365 0.000 2.390 138 G HA2 0.088 4.047 3.960 -0.001 0.000 0.299 138 G HA3 0.088 4.047 3.960 -0.001 0.000 0.299 138 G C 1.500 176.633 174.900 0.389 0.000 1.002 138 G CA 1.014 46.376 45.100 0.438 0.000 0.979 138 G HN 1.864 nan 8.290 nan 0.000 0.513 139 G N -2.035 106.901 108.800 0.226 0.000 2.199 139 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.254 139 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.254 139 G C 0.901 175.753 174.900 -0.080 0.000 0.982 139 G CA 0.754 45.880 45.100 0.043 0.000 0.632 139 G HN 0.982 nan 8.290 nan 0.000 0.529 140 F N 1.776 121.802 119.950 0.126 0.000 2.771 140 F HA 0.481 5.007 4.527 -0.001 0.000 0.299 140 F C 1.931 177.833 175.800 0.171 0.000 1.177 140 F CA 1.003 59.079 58.000 0.128 0.000 1.450 140 F CB 0.406 39.489 39.000 0.137 0.000 1.114 140 F HN 0.397 nan 8.300 nan 0.000 0.587 141 A N 0.896 123.875 122.820 0.264 0.000 2.690 141 A HA 0.548 4.867 4.320 -0.001 0.000 0.342 141 A C -0.348 177.276 177.584 0.067 0.000 1.410 141 A CA -0.431 51.762 52.037 0.259 0.000 0.958 141 A CB -0.470 18.745 19.000 0.358 0.000 1.153 141 A HN -0.042 nan 8.150 nan 0.000 0.497 142 V N 2.904 122.811 119.914 -0.012 0.000 2.508 142 V HA 0.150 4.270 4.120 -0.001 0.000 0.281 142 V C 1.432 177.399 176.094 -0.211 0.000 1.041 142 V CA 0.875 63.060 62.300 -0.192 0.000 1.016 142 V CB 1.016 32.610 31.823 -0.381 0.000 0.984 142 V HN 1.001 nan 8.190 nan 0.000 0.478 143 S N 1.466 117.041 115.700 -0.207 0.000 2.535 143 S HA 0.161 4.631 4.470 -0.001 0.000 0.214 143 S C 0.283 174.633 174.600 -0.417 0.000 0.980 143 S CA -0.010 58.063 58.200 -0.211 0.000 0.907 143 S CB 0.177 63.257 63.200 -0.200 0.000 0.790 143 S HN 0.782 nan 8.310 nan 0.000 0.510 144 D N -0.382 119.773 120.400 -0.408 0.000 2.548 144 D HA 0.206 4.845 4.640 -0.001 0.000 0.214 144 D C -0.861 175.276 176.300 -0.272 0.000 1.345 144 D CA -0.460 53.282 54.000 -0.430 0.000 0.945 144 D CB 0.415 41.021 40.800 -0.324 0.000 1.499 144 D HN -0.012 nan 8.370 nan 0.000 0.579 145 Y N 1.380 121.677 120.300 -0.004 0.000 2.583 145 Y HA 0.212 4.761 4.550 -0.001 0.000 0.293 145 Y C 2.246 178.177 175.900 0.052 0.000 1.157 145 Y CA 0.958 59.102 58.100 0.073 0.000 1.315 145 Y CB 0.624 39.203 38.460 0.199 0.000 1.021 145 Y HN 0.500 nan 8.280 nan 0.000 0.536 146 G N -1.316 107.553 108.800 0.115 0.000 3.277 146 G HA2 0.181 4.140 3.960 -0.001 0.000 0.243 146 G HA3 0.181 4.140 3.960 -0.001 0.000 0.243 146 G C -0.076 174.849 174.900 0.042 0.000 1.107 146 G CA 0.058 45.209 45.100 0.085 0.000 0.771 146 G HN 0.128 nan 8.290 nan 0.000 0.544 147 Q N 0.259 120.067 119.800 0.014 0.000 2.305 147 Q HA 0.509 4.848 4.340 -0.001 0.000 0.271 147 Q C -0.440 175.578 176.000 0.030 0.000 1.046 147 Q CA -0.482 55.326 55.803 0.009 0.000 0.798 147 Q CB 2.512 31.227 28.738 -0.038 0.000 1.286 147 Q HN -0.057 nan 8.270 nan 0.000 0.435 148 V N 2.672 122.632 119.914 0.078 0.000 2.872 148 V HA 0.042 4.162 4.120 -0.001 0.000 0.307 148 V C 0.329 176.462 176.094 0.066 0.000 1.072 148 V CA -0.106 62.274 62.300 0.132 0.000 1.148 148 V CB 1.032 32.942 31.823 0.146 0.000 0.954 148 V HN 0.798 nan 8.190 nan 0.000 0.490 149 E N 6.490 126.738 120.200 0.080 0.000 2.351 149 E HA 0.089 4.438 4.350 -0.001 0.000 0.266 149 E C -1.873 174.744 176.600 0.028 0.000 1.031 149 E CA -1.415 55.005 56.400 0.033 0.000 0.911 149 E CB 1.065 30.793 29.700 0.046 0.000 0.986 149 E HN 0.326 nan 8.360 nan 0.000 0.446 150 P HA -0.270 nan 4.420 nan 0.000 0.217 150 P C 0.974 178.274 177.300 0.001 0.000 1.158 150 P CA 2.267 65.364 63.100 -0.005 0.000 0.887 150 P CB 0.008 31.695 31.700 -0.021 0.000 0.792 151 S N -1.608 114.091 115.700 -0.001 0.000 2.469 151 S HA -0.099 4.370 4.470 -0.001 0.000 0.238 151 S C 1.753 176.363 174.600 0.018 0.000 0.998 151 S CA 1.053 59.253 58.200 0.000 0.000 0.957 151 S CB -1.309 61.885 63.200 -0.009 0.000 0.764 151 S HN 0.124 nan 8.310 nan 0.000 0.514 152 L N 0.417 121.661 121.223 0.036 0.000 2.463 152 L HA 0.426 4.766 4.340 -0.001 0.000 0.219 152 L C 1.418 178.307 176.870 0.033 0.000 1.088 152 L CA 0.360 55.231 54.840 0.052 0.000 0.849 152 L CB -0.023 42.094 42.059 0.097 0.000 1.012 152 L HN 0.636 nan 8.230 nan 0.000 0.468 153 G N -0.479 108.336 108.800 0.027 0.000 2.302 153 G HA2 0.023 3.983 3.960 -0.001 0.000 0.264 153 G HA3 0.023 3.983 3.960 -0.001 0.000 0.264 153 G C -1.083 173.828 174.900 0.018 0.000 1.335 153 G CA -0.117 44.991 45.100 0.014 0.000 0.982 153 G HN 0.115 nan 8.290 nan 0.000 0.473 154 S N -1.077 114.630 115.700 0.012 0.000 2.759 154 S HA 0.610 5.079 4.470 -0.001 0.000 0.310 154 S C 0.782 175.396 174.600 0.024 0.000 1.123 154 S CA -0.046 58.162 58.200 0.015 0.000 0.959 154 S CB 1.880 65.082 63.200 0.003 0.000 1.172 154 S HN 0.545 nan 8.310 nan 0.000 0.539 155 N N 1.042 119.758 118.700 0.027 0.000 2.381 155 N HA -0.004 4.736 4.740 -0.001 0.000 0.182 155 N C 0.804 176.325 175.510 0.019 0.000 1.025 155 N CA 0.950 54.021 53.050 0.036 0.000 0.888 155 N CB -0.379 38.129 38.487 0.035 0.000 0.965 155 N HN 0.568 nan 8.380 nan 0.000 0.438 156 D N 0.605 121.009 120.400 0.008 0.000 2.117 156 D HA -0.095 4.544 4.640 -0.001 0.000 0.198 156 D C 1.084 177.380 176.300 -0.007 0.000 0.982 156 D CA 0.880 54.880 54.000 -0.001 0.000 0.828 156 D CB -0.137 40.661 40.800 -0.004 0.000 0.967 156 D HN 0.245 nan 8.370 nan 0.000 0.464 157 D N 0.746 121.141 120.400 -0.009 0.000 2.117 157 D HA -0.124 4.516 4.640 -0.001 0.000 0.197 157 D C 2.286 178.567 176.300 -0.032 0.000 0.987 157 D CA 0.191 54.179 54.000 -0.019 0.000 0.829 157 D CB -0.358 40.431 40.800 -0.019 0.000 0.961 157 D HN 0.214 nan 8.370 nan 0.000 0.460 158 L N 0.840 122.046 121.223 -0.029 0.000 2.012 158 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 158 L C 2.313 179.161 176.870 -0.036 0.000 1.073 158 L CA 1.136 55.946 54.840 -0.050 0.000 0.748 158 L CB -0.123 41.938 42.059 0.004 0.000 0.891 158 L HN -0.114 nan 8.230 nan 0.000 0.431 159 V N 0.224 120.129 119.914 -0.014 0.000 2.343 159 V HA -0.268 3.851 4.120 -0.001 0.000 0.247 159 V C 2.812 178.894 176.094 -0.020 0.000 1.051 159 V CA 1.667 63.959 62.300 -0.013 0.000 1.036 159 V CB -0.899 30.921 31.823 -0.005 0.000 0.654 159 V HN 0.613 nan 8.190 nan 0.000 0.451 160 A N -0.688 122.120 122.820 -0.021 0.000 1.930 160 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 160 A C 2.263 179.832 177.584 -0.025 0.000 1.175 160 A CA 1.725 53.750 52.037 -0.020 0.000 0.627 160 A CB -0.459 18.530 19.000 -0.019 0.000 0.815 160 A HN 0.481 nan 8.150 nan 0.000 0.443 161 L N 0.135 121.336 121.223 -0.036 0.000 2.027 161 L HA -0.167 4.172 4.340 -0.001 0.000 0.206 161 L C 2.947 179.792 176.870 -0.041 0.000 1.074 161 L CA 2.270 57.085 54.840 -0.042 0.000 0.745 161 L CB -0.604 41.409 42.059 -0.076 0.000 0.898 161 L HN 0.644 nan 8.230 nan 0.000 0.433 162 T N -4.199 110.326 114.554 -0.048 0.000 2.833 162 T HA -0.129 4.220 4.350 -0.001 0.000 0.269 162 T C 1.918 176.598 174.700 -0.032 0.000 1.054 162 T CA 1.396 63.469 62.100 -0.045 0.000 1.135 162 T CB -0.370 68.471 68.868 -0.046 0.000 0.869 162 T HN 0.256 nan 8.240 nan 0.000 0.466 163 S N 1.350 117.035 115.700 -0.026 0.000 2.368 163 S HA 0.005 4.474 4.470 -0.001 0.000 0.224 163 S C 2.140 176.731 174.600 -0.015 0.000 1.029 163 S CA 1.172 59.359 58.200 -0.021 0.000 0.988 163 S CB -0.325 62.864 63.200 -0.018 0.000 0.838 163 S HN 0.575 nan 8.310 nan 0.000 0.462 164 R N 1.349 121.841 120.500 -0.013 0.000 2.073 164 R HA 0.035 4.375 4.340 -0.001 0.000 0.234 164 R C 2.081 178.382 176.300 0.002 0.000 1.134 164 R CA 1.276 57.373 56.100 -0.004 0.000 0.952 164 R CB -0.585 29.714 30.300 -0.001 0.000 0.850 164 R HN 0.340 nan 8.270 nan 0.000 0.433 165 L N 0.032 121.255 121.223 -0.002 0.000 2.046 165 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 165 L C 2.857 179.731 176.870 0.006 0.000 1.077 165 L CA 1.681 56.525 54.840 0.007 0.000 0.747 165 L CB -0.516 41.540 42.059 -0.005 0.000 0.896 165 L HN 0.273 nan 8.230 nan 0.000 0.432 166 R N 0.697 121.191 120.500 -0.010 0.000 2.105 166 R HA -0.198 4.141 4.340 -0.001 0.000 0.239 166 R C 2.180 178.475 176.300 -0.007 0.000 1.135 166 R CA 1.825 57.915 56.100 -0.016 0.000 0.967 166 R CB -0.100 30.181 30.300 -0.033 0.000 0.861 166 R HN 0.581 nan 8.270 nan 0.000 0.442 167 E N -0.810 119.388 120.200 -0.004 0.000 2.347 167 E HA -0.083 4.266 4.350 -0.001 0.000 0.196 167 E C 0.925 177.530 176.600 0.009 0.000 1.008 167 E CA 0.902 57.302 56.400 -0.001 0.000 0.852 167 E CB 0.118 29.817 29.700 -0.002 0.000 0.783 167 E HN 0.313 nan 8.360 nan 0.000 0.505 168 A N 1.168 123.999 122.820 0.017 0.000 2.415 168 A HA 0.466 4.785 4.320 -0.001 0.000 0.248 168 A C 1.584 179.195 177.584 0.044 0.000 1.299 168 A CA 0.248 52.303 52.037 0.029 0.000 0.899 168 A CB -0.350 18.671 19.000 0.035 0.000 0.997 168 A HN 0.372 nan 8.150 nan 0.000 0.506 169 G N -0.231 108.594 108.800 0.041 0.000 2.187 169 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.261 169 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.261 169 G C 0.088 175.051 174.900 0.105 0.000 1.000 169 G CA 0.721 45.863 45.100 0.070 0.000 0.718 169 G HN 0.568 nan 8.290 nan 0.000 0.519 170 I N 1.269 121.886 120.570 0.078 0.000 2.336 170 I HA 0.349 4.518 4.170 -0.001 0.000 0.292 170 I C 0.302 176.456 176.117 0.062 0.000 0.991 170 I CA -0.468 60.888 61.300 0.094 0.000 1.227 170 I CB 1.769 39.812 38.000 0.071 0.000 1.366 170 I HN 0.013 nan 8.210 nan 0.000 0.466 171 S N 6.914 122.673 115.700 0.099 0.000 2.452 171 S HA 0.365 4.834 4.470 -0.001 0.000 0.284 171 S C -0.173 174.361 174.600 -0.111 0.000 1.171 171 S CA -0.559 57.662 58.200 0.036 0.000 1.064 171 S CB 0.950 64.287 63.200 0.228 0.000 0.967 171 S HN 0.418 nan 8.310 nan 0.000 0.484 172 L N 3.865 125.012 121.223 -0.127 0.000 2.361 172 L HA 0.293 4.632 4.340 -0.001 0.000 0.278 172 L C -0.140 176.576 176.870 -0.256 0.000 1.113 172 L CA -0.309 54.433 54.840 -0.162 0.000 0.849 172 L CB 0.342 42.332 42.059 -0.116 0.000 1.155 172 L HN 0.755 nan 8.230 nan 0.000 0.452 173 C N 5.932 125.050 119.300 -0.303 0.000 2.295 173 C HA 0.811 5.270 4.460 -0.001 0.000 0.331 173 C C 0.422 175.405 174.990 -0.010 0.000 1.280 173 C CA -0.509 58.324 59.018 -0.309 0.000 1.746 173 C CB 0.188 27.653 27.740 -0.459 0.000 2.328 173 C HN 0.914 nan 8.230 nan 0.000 0.521 174 A N 5.171 127.959 122.820 -0.054 0.000 2.380 174 A HA 0.642 4.961 4.320 -0.001 0.000 0.315 174 A C -0.698 176.952 177.584 0.110 0.000 1.101 174 A CA -0.452 51.671 52.037 0.144 0.000 0.771 174 A CB 0.803 19.904 19.000 0.168 0.000 1.287 174 A HN 0.884 nan 8.150 nan 0.000 0.436 175 D N 0.839 121.311 120.400 0.120 0.000 2.351 175 D HA 0.278 4.917 4.640 -0.001 0.000 0.251 175 D C -1.438 175.020 176.300 0.264 0.000 1.137 175 D CA 0.779 54.868 54.000 0.148 0.000 0.879 175 D CB 1.020 41.831 40.800 0.018 0.000 1.181 175 D HN 0.297 nan 8.370 nan 0.000 0.448 176 F N 3.587 123.625 119.950 0.147 0.000 2.451 176 F HA 0.161 4.687 4.527 -0.001 0.000 0.367 176 F C -0.397 175.466 175.800 0.105 0.000 1.100 176 F CA -1.197 56.888 58.000 0.141 0.000 1.171 176 F CB 0.512 39.607 39.000 0.159 0.000 1.405 176 F HN -0.036 nan 8.300 nan 0.000 0.482 177 V N 7.792 127.733 119.914 0.045 0.000 2.180 177 V HA -0.068 4.051 4.120 -0.001 0.000 0.238 177 V C 1.065 177.010 176.094 -0.250 0.000 1.337 177 V CA -0.005 62.260 62.300 -0.059 0.000 1.338 177 V CB -0.846 30.990 31.823 0.023 0.000 1.431 177 V HN 0.585 nan 8.190 nan 0.000 0.498 178 L N 1.102 122.056 121.223 -0.448 0.000 2.591 178 L HA 0.256 4.595 4.340 -0.001 0.000 0.228 178 L C 1.420 178.363 176.870 0.122 0.000 1.133 178 L CA 0.857 55.453 54.840 -0.407 0.000 0.880 178 L CB -1.798 39.913 42.059 -0.581 0.000 1.033 178 L HN 0.429 nan 8.230 nan 0.000 0.450 179 N N -0.057 118.667 118.700 0.040 0.000 2.368 179 N HA -0.056 4.683 4.740 -0.001 0.000 0.176 179 N C 0.287 176.045 175.510 0.413 0.000 1.021 179 N CA 0.648 53.875 53.050 0.293 0.000 0.888 179 N CB 0.234 38.946 38.487 0.375 0.000 0.995 179 N HN 0.682 nan 8.380 nan 0.000 0.437 180 H N -2.778 116.501 119.070 0.348 0.000 2.980 180 H HA 0.430 4.986 4.556 -0.001 0.000 0.367 180 H C -0.868 174.689 175.328 0.382 0.000 1.206 180 H CA -0.789 55.499 56.048 0.401 0.000 1.126 180 H CB 0.728 30.738 29.762 0.413 0.000 1.838 180 H HN 0.059 nan 8.280 nan 0.000 0.552 181 T N -1.480 113.374 114.554 0.500 0.000 2.940 181 T HA 0.748 5.097 4.350 -0.001 0.000 0.288 181 T C 0.329 175.149 174.700 0.199 0.000 1.045 181 T CA -0.457 61.807 62.100 0.273 0.000 1.018 181 T CB 1.639 70.623 68.868 0.192 0.000 1.151 181 T HN 0.916 nan 8.240 nan 0.000 0.529 182 A N 1.259 124.115 122.820 0.061 0.000 2.386 182 A HA 0.402 4.721 4.320 -0.001 0.000 0.248 182 A C 1.112 178.546 177.584 -0.251 0.000 1.082 182 A CA -0.117 51.918 52.037 -0.004 0.000 0.789 182 A CB -0.178 18.797 19.000 -0.041 0.000 1.025 182 A HN 0.977 nan 8.150 nan 0.000 0.490 183 D N 0.085 120.208 120.400 -0.461 0.000 2.352 183 D HA -0.075 4.565 4.640 -0.001 0.000 0.232 183 D C 0.188 176.116 176.300 -0.620 0.000 1.055 183 D CA 0.871 54.231 54.000 -1.065 0.000 0.891 183 D CB 0.078 40.217 40.800 -1.102 0.000 0.897 183 D HN 0.540 nan 8.370 nan 0.000 0.529 184 D N -1.290 118.914 120.400 -0.325 0.000 2.479 184 D HA -0.060 4.579 4.640 -0.001 0.000 0.218 184 D C 0.520 176.715 176.300 -0.175 0.000 1.177 184 D CA -0.552 53.315 54.000 -0.222 0.000 0.830 184 D CB -0.895 39.799 40.800 -0.176 0.000 1.014 184 D HN 0.264 nan 8.370 nan 0.000 0.503 185 H N 1.045 119.961 119.070 -0.256 0.000 2.836 185 H HA 0.254 4.809 4.556 -0.001 0.000 0.368 185 H C 1.275 176.460 175.328 -0.238 0.000 1.164 185 H CA 0.869 56.762 56.048 -0.259 0.000 1.425 185 H CB 1.669 31.303 29.762 -0.213 0.000 1.414 185 H HN 0.037 nan 8.280 nan 0.000 0.614 186 A N 4.618 127.061 122.820 -0.628 0.000 1.958 186 A HA -0.229 4.091 4.320 -0.001 0.000 0.221 186 A C 2.124 179.658 177.584 -0.084 0.000 1.178 186 A CA 1.480 53.290 52.037 -0.379 0.000 0.642 186 A CB -0.717 17.965 19.000 -0.530 0.000 0.816 186 A HN 0.801 nan 8.150 nan 0.000 0.453 187 W N -0.731 120.716 121.300 0.245 0.000 2.409 187 W HA 0.065 4.724 4.660 -0.001 0.000 0.299 187 W C 2.809 179.470 176.519 0.236 0.000 1.203 187 W CA 0.587 57.995 57.345 0.104 0.000 1.298 187 W CB -1.334 28.253 29.460 0.212 0.000 1.127 187 W HN 0.440 nan 8.180 nan 0.000 0.528 188 A N 0.238 123.323 122.820 0.442 0.000 1.930 188 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 188 A C 2.030 179.660 177.584 0.076 0.000 1.175 188 A CA 1.344 53.454 52.037 0.121 0.000 0.627 188 A CB -0.647 18.006 19.000 -0.578 0.000 0.815 188 A HN 0.190 nan 8.150 nan 0.000 0.443 189 Q N -0.475 119.333 119.800 0.013 0.000 2.119 189 Q HA -0.076 4.263 4.340 -0.001 0.000 0.201 189 Q C 2.419 178.436 176.000 0.028 0.000 0.972 189 Q CA 1.517 57.312 55.803 -0.013 0.000 0.847 189 Q CB -0.666 28.031 28.738 -0.068 0.000 0.903 189 Q HN 0.656 nan 8.270 nan 0.000 0.433 190 A N 1.171 124.012 122.820 0.036 0.000 1.898 190 A HA -0.043 4.276 4.320 -0.001 0.000 0.216 190 A C 2.343 180.011 177.584 0.140 0.000 1.181 190 A CA 1.775 53.840 52.037 0.048 0.000 0.620 190 A CB -0.609 18.340 19.000 -0.085 0.000 0.819 190 A HN 0.353 nan 8.150 nan 0.000 0.442 191 A N -0.165 122.782 122.820 0.211 0.000 1.877 191 A HA -0.151 4.169 4.320 -0.001 0.000 0.216 191 A C 2.219 179.877 177.584 0.124 0.000 1.186 191 A CA 1.461 53.619 52.037 0.202 0.000 0.620 191 A CB -0.486 18.709 19.000 0.325 0.000 0.822 191 A HN 0.519 nan 8.150 nan 0.000 0.443 192 R N -0.589 119.996 120.500 0.141 0.000 2.152 192 R HA -0.074 4.265 4.340 -0.001 0.000 0.232 192 R C 2.041 178.370 176.300 0.047 0.000 1.117 192 R CA 1.024 57.180 56.100 0.092 0.000 0.981 192 R CB -0.349 30.005 30.300 0.089 0.000 0.870 192 R HN 0.505 nan 8.270 nan 0.000 0.451 193 A N -0.310 122.539 122.820 0.050 0.000 2.238 193 A HA 0.206 4.526 4.320 -0.001 0.000 0.208 193 A C 1.369 178.975 177.584 0.037 0.000 1.177 193 A CA 0.871 52.929 52.037 0.035 0.000 0.804 193 A CB 0.131 19.150 19.000 0.032 0.000 0.823 193 A HN 0.445 nan 8.150 nan 0.000 0.482 194 G N -0.713 108.111 108.800 0.039 0.000 2.179 194 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.220 194 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.220 194 G C -0.112 174.811 174.900 0.038 0.000 0.990 194 G CA 0.141 45.258 45.100 0.029 0.000 0.646 194 G HN 0.500 nan 8.290 nan 0.000 0.517 195 D N 1.254 121.697 120.400 0.071 0.000 2.359 195 D HA 0.563 5.202 4.640 -0.001 0.000 0.250 195 D C 1.664 177.990 176.300 0.042 0.000 1.264 195 D CA 0.589 54.642 54.000 0.090 0.000 0.911 195 D CB 0.792 41.718 40.800 0.209 0.000 1.056 195 D HN 0.412 nan 8.370 nan 0.000 0.499 196 A N 5.342 128.159 122.820 -0.004 0.000 1.940 196 A HA -0.223 4.096 4.320 -0.001 0.000 0.219 196 A C 2.162 179.695 177.584 -0.085 0.000 1.176 196 A CA 1.469 53.482 52.037 -0.040 0.000 0.631 196 A CB -0.334 18.655 19.000 -0.019 0.000 0.814 196 A HN 0.694 nan 8.150 nan 0.000 0.446 197 R N -1.836 118.575 120.500 -0.148 0.000 2.103 197 R HA -0.208 4.131 4.340 -0.001 0.000 0.242 197 R C 1.577 177.571 176.300 -0.509 0.000 1.142 197 R CA 2.201 58.100 56.100 -0.335 0.000 0.960 197 R CB -0.365 29.637 30.300 -0.498 0.000 0.858 197 R HN 0.587 nan 8.270 nan 0.000 0.439 198 Y N -0.159 120.035 120.300 -0.176 0.000 2.510 198 Y HA 0.055 4.604 4.550 -0.001 0.000 0.273 198 Y C 1.907 177.787 175.900 -0.033 0.000 1.119 198 Y CA 0.083 57.984 58.100 -0.332 0.000 1.286 198 Y CB 0.040 38.356 38.460 -0.239 0.000 1.061 198 Y HN 0.074 nan 8.280 nan 0.000 0.542 199 L N 0.160 121.424 121.223 0.067 0.000 2.141 199 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 199 L C 0.697 177.517 176.870 -0.084 0.000 1.094 199 L CA 1.737 56.550 54.840 -0.044 0.000 0.763 199 L CB -0.210 41.685 42.059 -0.273 0.000 0.908 199 L HN 0.173 nan 8.230 nan 0.000 0.437 200 D N -1.090 119.305 120.400 -0.009 0.000 2.352 200 D HA -0.106 4.533 4.640 -0.001 0.000 0.232 200 D C 1.195 177.514 176.300 0.031 0.000 1.055 200 D CA 0.476 54.523 54.000 0.079 0.000 0.891 200 D CB 0.109 40.927 40.800 0.030 0.000 0.897 200 D HN 0.324 nan 8.370 nan 0.000 0.529 201 Y N -0.796 119.346 120.300 -0.264 0.000 2.466 201 Y HA 0.103 4.652 4.550 -0.001 0.000 0.272 201 Y C 0.054 175.528 175.900 -0.709 0.000 1.169 201 Y CA -0.028 57.719 58.100 -0.589 0.000 1.285 201 Y CB -0.058 37.922 38.460 -0.800 0.000 1.078 201 Y HN -0.098 nan 8.280 nan 0.000 0.523 202 Y N -2.364 117.965 120.300 0.048 0.000 2.693 202 Y HA 0.433 4.982 4.550 -0.001 0.000 0.331 202 Y C -0.455 175.381 175.900 -0.108 0.000 1.092 202 Y CA -1.736 56.385 58.100 0.036 0.000 1.131 202 Y CB 0.642 39.219 38.460 0.196 0.000 1.318 202 Y HN -0.218 nan 8.280 nan 0.000 0.510 203 H N 1.280 120.485 119.070 0.224 0.000 2.640 203 H HA 0.286 4.842 4.556 -0.001 0.000 0.297 203 H C -0.734 174.482 175.328 -0.186 0.000 1.073 203 H CA -0.448 55.603 56.048 0.006 0.000 1.305 203 H CB 0.066 29.969 29.762 0.235 0.000 1.404 203 H HN 0.439 nan 8.280 nan 0.000 0.459 204 H N 2.053 120.774 119.070 -0.581 0.000 2.637 204 H HA 0.400 4.955 4.556 -0.001 0.000 0.363 204 H C -1.564 173.261 175.328 -0.837 0.000 1.131 204 H CA -1.235 54.483 56.048 -0.549 0.000 1.183 204 H CB 1.030 30.630 29.762 -0.270 0.000 1.637 204 H HN 0.339 nan 8.280 nan 0.000 0.531 205 F N 0.640 120.737 119.950 0.245 0.000 2.547 205 F HA 0.503 5.030 4.527 -0.001 0.000 0.316 205 F C 1.074 177.060 175.800 0.310 0.000 1.121 205 F CA -0.598 57.522 58.000 0.201 0.000 0.911 205 F CB 2.082 41.181 39.000 0.164 0.000 1.179 205 F HN 0.776 nan 8.300 nan 0.000 0.443 206 A N 0.935 123.994 122.820 0.397 0.000 1.969 206 A HA -0.031 4.288 4.320 -0.001 0.000 0.218 206 A C 0.812 178.664 177.584 0.446 0.000 1.169 206 A CA 1.439 53.701 52.037 0.375 0.000 0.635 206 A CB -0.295 18.855 19.000 0.250 0.000 0.810 206 A HN 0.713 nan 8.150 nan 0.000 0.445 207 D N -2.796 117.828 120.400 0.372 0.000 2.650 207 D HA 0.326 4.966 4.640 -0.001 0.000 0.255 207 D C 0.375 176.719 176.300 0.073 0.000 1.135 207 D CA -0.679 53.470 54.000 0.248 0.000 1.099 207 D CB 0.820 41.673 40.800 0.087 0.000 1.273 207 D HN -0.091 nan 8.370 nan 0.000 0.628 208 R N -0.092 120.289 120.500 -0.199 0.000 2.362 208 R HA 0.094 4.434 4.340 -0.001 0.000 0.227 208 R C 1.347 177.355 176.300 -0.488 0.000 0.905 208 R CA 0.263 55.991 56.100 -0.620 0.000 1.067 208 R CB -0.212 29.745 30.300 -0.571 0.000 1.078 208 R HN 0.482 nan 8.270 nan 0.000 0.516 209 T N 0.527 114.903 114.554 -0.297 0.000 2.516 209 T HA -0.184 4.165 4.350 -0.001 0.000 0.261 209 T C 1.914 176.396 174.700 -0.362 0.000 1.130 209 T CA 2.130 64.074 62.100 -0.261 0.000 1.193 209 T CB -0.519 68.257 68.868 -0.155 0.000 0.864 209 T HN -0.038 nan 8.240 nan 0.000 0.410 210 V N 2.740 122.397 119.914 -0.428 0.000 2.332 210 V HA -0.117 4.002 4.120 -0.001 0.000 0.248 210 V C -0.437 175.276 176.094 -0.636 0.000 1.055 210 V CA 1.818 63.783 62.300 -0.558 0.000 1.038 210 V CB -1.720 29.634 31.823 -0.781 0.000 0.651 210 V HN 0.383 nan 8.190 nan 0.000 0.450 211 P HA -0.136 nan 4.420 nan 0.000 0.216 211 P C 1.258 178.134 177.300 -0.707 0.000 1.153 211 P CA 1.580 63.885 63.100 -1.325 0.000 0.858 211 P CB -0.069 30.549 31.700 -1.803 0.000 0.789 212 D N -0.897 119.163 120.400 -0.567 0.000 2.104 212 D HA -0.157 4.482 4.640 -0.001 0.000 0.194 212 D C 2.030 178.172 176.300 -0.264 0.000 0.994 212 D CA 1.174 54.953 54.000 -0.369 0.000 0.830 212 D CB -0.435 40.175 40.800 -0.318 0.000 0.959 212 D HN 0.191 nan 8.370 nan 0.000 0.452 213 R N -0.133 120.194 120.500 -0.287 0.000 2.096 213 R HA -0.176 4.164 4.340 -0.001 0.000 0.229 213 R C 2.548 178.737 176.300 -0.185 0.000 1.134 213 R CA 1.242 57.187 56.100 -0.258 0.000 0.917 213 R CB -0.860 29.225 30.300 -0.358 0.000 0.832 213 R HN 0.235 nan 8.270 nan 0.000 0.430 214 Y N 1.628 121.825 120.300 -0.171 0.000 2.132 214 Y HA -0.271 4.278 4.550 -0.001 0.000 0.280 214 Y C 2.495 178.349 175.900 -0.077 0.000 1.193 214 Y CA 1.500 59.549 58.100 -0.086 0.000 1.157 214 Y CB -0.344 38.049 38.460 -0.112 0.000 0.966 214 Y HN 0.143 nan 8.280 nan 0.000 0.511 215 E N -0.487 119.744 120.200 0.053 0.000 2.265 215 E HA -0.177 4.172 4.350 -0.001 0.000 0.196 215 E C 2.338 178.926 176.600 -0.020 0.000 0.996 215 E CA 0.877 57.277 56.400 -0.000 0.000 0.832 215 E CB -0.395 29.268 29.700 -0.060 0.000 0.756 215 E HN 0.502 nan 8.360 nan 0.000 0.491 216 A N 0.986 123.783 122.820 -0.038 0.000 1.972 216 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 216 A C 2.224 179.801 177.584 -0.012 0.000 1.169 216 A CA 2.032 54.045 52.037 -0.041 0.000 0.635 216 A CB -0.318 18.642 19.000 -0.066 0.000 0.810 216 A HN 0.314 nan 8.150 nan 0.000 0.446 217 T N -3.505 111.060 114.554 0.018 0.000 3.084 217 T HA 0.547 4.896 4.350 -0.001 0.000 0.270 217 T C 0.157 174.897 174.700 0.067 0.000 1.008 217 T CA -0.378 61.745 62.100 0.039 0.000 0.900 217 T CB -0.308 68.587 68.868 0.046 0.000 1.084 217 T HN 0.136 nan 8.240 nan 0.000 0.538 218 L N 1.771 123.034 121.223 0.067 0.000 2.334 218 L HA 0.713 5.052 4.340 -0.001 0.000 0.277 218 L C 1.176 178.069 176.870 0.039 0.000 1.075 218 L CA -1.016 53.868 54.840 0.073 0.000 0.804 218 L CB 1.218 43.309 42.059 0.053 0.000 1.174 218 L HN 0.338 nan 8.230 nan 0.000 0.438 219 G N 1.571 110.401 108.800 0.049 0.000 2.525 219 G HA2 0.523 4.482 3.960 -0.001 0.000 0.287 219 G HA3 0.523 4.482 3.960 -0.001 0.000 0.287 219 G C -0.961 173.938 174.900 -0.001 0.000 1.350 219 G CA -0.374 44.747 45.100 0.034 0.000 1.039 219 G HN 0.600 nan 8.290 nan 0.000 0.513 220 Q N -1.557 118.239 119.800 -0.007 0.000 2.331 220 Q HA 0.388 4.727 4.340 -0.001 0.000 0.272 220 Q C 0.273 176.222 176.000 -0.085 0.000 1.062 220 Q CA -0.849 54.912 55.803 -0.069 0.000 0.806 220 Q CB 2.722 31.436 28.738 -0.041 0.000 1.312 220 Q HN 0.215 nan 8.270 nan 0.000 0.431 221 V N 0.940 120.689 119.914 -0.275 0.000 2.725 221 V HA 0.044 4.163 4.120 -0.001 0.000 0.247 221 V C 0.089 175.931 176.094 -0.420 0.000 1.058 221 V CA 1.165 63.217 62.300 -0.414 0.000 1.080 221 V CB 0.105 31.405 31.823 -0.871 0.000 0.713 221 V HN 0.609 nan 8.190 nan 0.000 0.465 222 F N -0.196 119.693 119.950 -0.102 0.000 2.542 222 F HA 0.426 4.953 4.527 -0.001 0.000 0.323 222 F C -1.825 173.879 175.800 -0.159 0.000 1.411 222 F CA -3.220 54.669 58.000 -0.185 0.000 1.124 222 F CB 0.234 39.106 39.000 -0.214 0.000 1.331 222 F HN 0.088 nan 8.300 nan 0.000 0.560 223 P HA -0.197 nan 4.420 nan 0.000 0.217 223 P C 1.041 178.369 177.300 0.048 0.000 1.148 223 P CA 1.976 65.095 63.100 0.032 0.000 0.834 223 P CB 0.255 31.985 31.700 0.050 0.000 0.783 224 H N -2.581 116.400 119.070 -0.148 0.000 2.315 224 H HA 0.096 4.652 4.556 -0.001 0.000 0.318 224 H C 2.012 177.278 175.328 -0.105 0.000 1.068 224 H CA 1.529 57.501 56.048 -0.126 0.000 1.465 224 H CB -1.151 28.511 29.762 -0.167 0.000 1.475 224 H HN -0.129 nan 8.280 nan 0.000 0.597 225 T N 0.029 114.580 114.554 -0.005 0.000 2.720 225 T HA 0.008 4.358 4.350 -0.001 0.000 0.268 225 T C 0.754 175.394 174.700 -0.100 0.000 1.037 225 T CA 1.533 63.577 62.100 -0.094 0.000 1.144 225 T CB -0.369 68.329 68.868 -0.284 0.000 0.864 225 T HN 0.409 nan 8.240 nan 0.000 0.444 226 A N 0.766 123.557 122.820 -0.049 0.000 3.007 226 A HA 0.575 4.894 4.320 -0.001 0.000 0.314 226 A C -2.510 175.098 177.584 0.040 0.000 1.153 226 A CA -1.005 51.020 52.037 -0.019 0.000 0.780 226 A CB 0.972 19.906 19.000 -0.111 0.000 1.258 226 A HN 0.022 nan 8.150 nan 0.000 0.460 227 P HA -0.024 nan 4.420 nan 0.000 0.249 227 P C 0.981 178.295 177.300 0.024 0.000 1.227 227 P CA 1.168 64.274 63.100 0.011 0.000 0.753 227 P CB 0.086 31.788 31.700 0.004 0.000 0.966 228 G N 0.726 109.549 108.800 0.038 0.000 2.389 228 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.287 228 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.287 228 G C 0.679 175.565 174.900 -0.022 0.000 1.126 228 G CA -0.015 45.119 45.100 0.056 0.000 1.073 228 G HN 0.087 nan 8.290 nan 0.000 0.429 229 N N 1.177 119.842 118.700 -0.058 0.000 2.075 229 N HA 0.175 4.914 4.740 -0.001 0.000 0.226 229 N C -0.997 174.241 175.510 -0.454 0.000 1.343 229 N CA -0.091 52.808 53.050 -0.251 0.000 0.881 229 N CB 0.668 39.022 38.487 -0.223 0.000 1.100 229 N HN 0.344 nan 8.380 nan 0.000 0.495 230 F N -0.256 119.666 119.950 -0.046 0.000 2.635 230 F HA 0.421 4.947 4.527 -0.001 0.000 0.314 230 F C -0.734 175.243 175.800 0.294 0.000 1.119 230 F CA -0.426 57.613 58.000 0.065 0.000 1.000 230 F CB 2.043 41.027 39.000 -0.027 0.000 1.278 230 F HN -0.358 nan 8.300 nan 0.000 0.446 231 T N 2.317 117.213 114.554 0.570 0.000 2.912 231 T HA 0.188 4.537 4.350 -0.001 0.000 0.299 231 T C -1.573 173.210 174.700 0.137 0.000 1.052 231 T CA -0.611 61.717 62.100 0.380 0.000 0.996 231 T CB 1.926 70.933 68.868 0.233 0.000 1.070 231 T HN 0.597 nan 8.240 nan 0.000 0.465 232 W N 4.137 125.177 121.300 -0.433 0.000 2.316 232 W HA 0.582 5.242 4.660 -0.001 0.000 0.311 232 W C -1.755 174.560 176.519 -0.342 0.000 1.217 232 W CA -0.572 56.266 57.345 -0.845 0.000 1.199 232 W CB 0.666 29.387 29.460 -1.231 0.000 1.202 232 W HN 0.339 nan 8.180 nan 0.000 0.528 233 V N 7.716 126.929 119.914 -1.169 0.000 2.444 233 V HA 0.044 4.163 4.120 -0.001 0.000 0.294 233 V C 0.883 176.408 176.094 -0.949 0.000 1.022 233 V CA -0.485 61.381 62.300 -0.723 0.000 0.850 233 V CB 1.617 33.206 31.823 -0.391 0.000 0.992 233 V HN 0.605 nan 8.190 nan 0.000 0.426 234 D N 2.304 122.432 120.400 -0.454 0.000 2.092 234 D HA -0.176 4.464 4.640 -0.001 0.000 0.193 234 D C 1.383 177.579 176.300 -0.173 0.000 0.994 234 D CA 1.759 55.645 54.000 -0.190 0.000 0.828 234 D CB 0.201 41.016 40.800 0.025 0.000 0.963 234 D HN 0.626 nan 8.370 nan 0.000 0.450 235 D N 0.090 120.424 120.400 -0.110 0.000 2.149 235 D HA -0.140 4.499 4.640 -0.001 0.000 0.194 235 D C 2.202 178.448 176.300 -0.090 0.000 1.001 235 D CA 2.061 56.028 54.000 -0.054 0.000 0.849 235 D CB -0.499 40.306 40.800 0.008 0.000 0.939 235 D HN 0.371 nan 8.370 nan 0.000 0.449 236 T N -2.842 111.600 114.554 -0.187 0.000 3.065 236 T HA 0.418 4.767 4.350 -0.001 0.000 0.252 236 T C 1.198 175.732 174.700 -0.277 0.000 1.099 236 T CA 0.672 62.646 62.100 -0.210 0.000 1.063 236 T CB 0.183 68.884 68.868 -0.278 0.000 0.948 236 T HN 0.231 nan 8.240 nan 0.000 0.506 237 A N 0.566 123.119 122.820 -0.444 0.000 2.791 237 A HA -0.131 4.188 4.320 -0.001 0.000 0.292 237 A C 0.162 177.421 177.584 -0.542 0.000 1.487 237 A CA 1.033 52.824 52.037 -0.410 0.000 0.760 237 A CB -2.371 16.635 19.000 0.010 0.000 1.031 237 A HN 0.749 nan 8.150 nan 0.000 0.503 238 Q N -2.795 116.368 119.800 -1.062 0.000 2.648 238 Q HA 0.523 4.862 4.340 -0.001 0.000 0.300 238 Q C -1.117 174.570 176.000 -0.523 0.000 0.954 238 Q CA -0.789 54.741 55.803 -0.455 0.000 0.757 238 Q CB 1.011 29.695 28.738 -0.089 0.000 1.482 238 Q HN 0.527 nan 8.270 nan 0.000 0.437 239 W N 1.841 123.214 121.300 0.122 0.000 2.331 239 W HA 0.386 5.045 4.660 -0.001 0.000 0.306 239 W C -0.362 176.251 176.519 0.157 0.000 1.162 239 W CA -0.312 57.168 57.345 0.225 0.000 1.232 239 W CB 0.851 30.499 29.460 0.314 0.000 1.235 239 W HN 0.235 nan 8.180 nan 0.000 0.479 240 M N 4.073 123.786 119.600 0.187 0.000 2.180 240 M HA 0.129 4.608 4.480 -0.001 0.000 0.350 240 M C -0.288 176.179 176.300 0.277 0.000 1.125 240 M CA -1.161 54.121 55.300 -0.029 0.000 1.031 240 M CB 0.593 32.688 32.600 -0.840 0.000 1.623 240 M HN 0.427 nan 8.290 nan 0.000 0.451 241 W N 5.160 126.560 121.300 0.166 0.000 2.417 241 W HA 0.173 4.832 4.660 -0.001 0.000 0.332 241 W C -0.449 176.006 176.519 -0.107 0.000 1.413 241 W CA 0.844 58.095 57.345 -0.157 0.000 1.299 241 W CB 0.239 29.634 29.460 -0.109 0.000 1.304 241 W HN 0.717 nan 8.180 nan 0.000 0.565 242 T N 1.946 116.549 114.554 0.081 0.000 3.135 242 T HA 0.140 4.489 4.350 -0.001 0.000 0.357 242 T C 0.636 175.319 174.700 -0.028 0.000 1.112 242 T CA -0.534 61.668 62.100 0.170 0.000 1.290 242 T CB 0.748 69.738 68.868 0.203 0.000 1.018 242 T HN 0.278 nan 8.240 nan 0.000 0.527 243 T N 2.271 116.781 114.554 -0.074 0.000 2.803 243 T HA 0.078 4.427 4.350 -0.001 0.000 0.269 243 T C 0.414 174.601 174.700 -0.854 0.000 1.052 243 T CA 1.493 63.267 62.100 -0.543 0.000 1.136 243 T CB -0.318 67.999 68.868 -0.918 0.000 0.864 243 T HN 0.589 nan 8.240 nan 0.000 0.467 244 F N -1.480 118.353 119.950 -0.196 0.000 2.935 244 F HA 0.471 4.997 4.527 -0.001 0.000 0.167 244 F C 0.504 176.384 175.800 0.133 0.000 1.379 244 F CA -1.535 56.415 58.000 -0.084 0.000 0.910 244 F CB -0.544 38.399 39.000 -0.096 0.000 2.105 244 F HN -0.144 nan 8.300 nan 0.000 0.514 245 Y N 1.641 122.101 120.300 0.268 0.000 2.459 245 Y HA 0.093 4.642 4.550 -0.001 0.000 0.349 245 Y C -1.400 174.404 175.900 -0.159 0.000 1.266 245 Y CA -0.957 57.078 58.100 -0.108 0.000 1.483 245 Y CB -0.431 37.601 38.460 -0.713 0.000 1.362 245 Y HN 0.092 nan 8.280 nan 0.000 0.628 246 P HA -0.165 nan 4.420 nan 0.000 0.222 246 P C 0.033 177.506 177.300 0.289 0.000 1.147 246 P CA 1.511 64.716 63.100 0.175 0.000 0.790 246 P CB -0.095 31.732 31.700 0.212 0.000 0.780 247 Y N -2.057 118.448 120.300 0.342 0.000 2.495 247 Y HA 0.421 4.971 4.550 -0.001 0.000 0.293 247 Y C 0.163 176.148 175.900 0.142 0.000 1.186 247 Y CA -0.814 57.406 58.100 0.200 0.000 1.266 247 Y CB -1.241 37.285 38.460 0.109 0.000 1.101 247 Y HN -0.091 nan 8.280 nan 0.000 0.517 248 Q N 1.131 121.109 119.800 0.297 0.000 2.363 248 Q HA 0.214 4.554 4.340 -0.001 0.000 0.265 248 Q C -1.552 174.772 176.000 0.540 0.000 1.032 248 Q CA -0.649 55.377 55.803 0.371 0.000 0.746 248 Q CB 0.938 29.865 28.738 0.314 0.000 1.237 248 Q HN 0.296 nan 8.270 nan 0.000 0.475 249 W N 1.897 123.369 121.300 0.287 0.000 2.351 249 W HA 0.242 4.901 4.660 -0.001 0.000 0.311 249 W C -0.172 176.643 176.519 0.493 0.000 1.168 249 W CA -1.360 56.155 57.345 0.284 0.000 1.200 249 W CB 0.361 29.806 29.460 -0.024 0.000 1.221 249 W HN 0.480 nan 8.180 nan 0.000 0.519 250 D N 2.085 122.871 120.400 0.644 0.000 2.417 250 D HA 0.082 4.721 4.640 -0.001 0.000 0.250 250 D C 0.124 176.757 176.300 0.554 0.000 1.166 250 D CA -0.047 54.252 54.000 0.499 0.000 0.881 250 D CB 0.642 41.509 40.800 0.111 0.000 1.164 250 D HN -0.139 nan 8.370 nan 0.000 0.467 251 L N 2.873 124.349 121.223 0.421 0.000 2.439 251 L HA 0.136 4.476 4.340 -0.001 0.000 0.269 251 L C 0.478 177.345 176.870 -0.005 0.000 1.179 251 L CA 0.040 54.931 54.840 0.085 0.000 0.828 251 L CB 0.445 42.461 42.059 -0.072 0.000 1.106 251 L HN 0.344 nan 8.230 nan 0.000 0.467 252 N N 1.907 120.394 118.700 -0.355 0.000 2.918 252 N HA 0.034 4.774 4.740 -0.001 0.000 0.247 252 N C 0.179 175.482 175.510 -0.346 0.000 1.117 252 N CA -0.204 52.549 53.050 -0.496 0.000 1.005 252 N CB -0.055 37.985 38.487 -0.745 0.000 1.297 252 N HN 0.439 nan 8.380 nan 0.000 0.513 253 W N 1.276 122.493 121.300 -0.139 0.000 2.747 253 W HA -0.067 4.593 4.660 -0.001 0.000 0.244 253 W C 2.001 178.635 176.519 0.192 0.000 1.270 253 W CA 0.510 57.878 57.345 0.039 0.000 1.333 253 W CB -0.178 29.403 29.460 0.201 0.000 1.139 253 W HN 0.581 nan 8.180 nan 0.000 0.662 254 S N -0.966 114.783 115.700 0.081 0.000 2.558 254 S HA 0.003 4.472 4.470 -0.001 0.000 0.217 254 S C 0.690 175.399 174.600 0.182 0.000 0.975 254 S CA -0.143 58.160 58.200 0.173 0.000 0.912 254 S CB -0.271 62.797 63.200 -0.220 0.000 0.776 254 S HN 0.140 nan 8.310 nan 0.000 0.526 255 N N 2.524 121.145 118.700 -0.131 0.000 2.419 255 N HA 0.363 5.102 4.740 -0.001 0.000 0.264 255 N C -2.314 172.752 175.510 -0.740 0.000 1.031 255 N CA -2.213 50.591 53.050 -0.410 0.000 0.951 255 N CB 1.770 39.945 38.487 -0.521 0.000 1.101 255 N HN -0.064 nan 8.380 nan 0.000 0.488 256 P HA -0.056 nan 4.420 nan 0.000 0.218 256 P C 0.808 177.380 177.300 -1.212 0.000 1.149 256 P CA 1.124 63.067 63.100 -1.927 0.000 0.817 256 P CB 0.227 30.480 31.700 -2.412 0.000 0.785 257 A N -0.432 121.862 122.820 -0.877 0.000 1.908 257 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 257 A C 2.319 179.460 177.584 -0.737 0.000 1.181 257 A CA 2.037 53.753 52.037 -0.536 0.000 0.627 257 A CB -1.773 16.932 19.000 -0.492 0.000 0.818 257 A HN 0.041 nan 8.150 nan 0.000 0.445 258 V N -1.220 118.025 119.914 -1.115 0.000 2.261 258 V HA -0.255 3.864 4.120 -0.001 0.000 0.246 258 V C 2.278 177.867 176.094 -0.842 0.000 1.047 258 V CA 2.199 63.773 62.300 -1.210 0.000 1.015 258 V CB -1.032 30.035 31.823 -1.261 0.000 0.642 258 V HN 0.635 nan 8.190 nan 0.000 0.446 259 F N 1.921 121.464 119.950 -0.678 0.000 2.069 259 F HA -0.118 4.408 4.527 -0.001 0.000 0.298 259 F C 2.234 177.952 175.800 -0.137 0.000 1.113 259 F CA 1.962 59.798 58.000 -0.273 0.000 1.214 259 F CB -0.955 38.026 39.000 -0.031 0.000 0.978 259 F HN 0.139 nan 8.300 nan 0.000 0.474 260 G N -0.249 108.531 108.800 -0.035 0.000 2.446 260 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.217 260 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.217 260 G C 1.302 176.320 174.900 0.198 0.000 1.168 260 G CA 1.198 46.257 45.100 -0.068 0.000 0.771 260 G HN 0.370 nan 8.290 nan 0.000 0.551 261 D N 0.003 120.472 120.400 0.114 0.000 2.178 261 D HA -0.036 4.603 4.640 -0.001 0.000 0.202 261 D C 2.589 179.030 176.300 0.235 0.000 0.974 261 D CA 0.596 54.749 54.000 0.254 0.000 0.841 261 D CB -0.117 40.879 40.800 0.327 0.000 0.953 261 D HN 0.157 nan 8.370 nan 0.000 0.478 262 M N 0.285 119.901 119.600 0.025 0.000 2.156 262 M HA 0.054 4.533 4.480 -0.001 0.000 0.264 262 M C 2.276 178.659 176.300 0.138 0.000 1.067 262 M CA 0.607 55.968 55.300 0.101 0.000 1.131 262 M CB -1.009 31.535 32.600 -0.093 0.000 1.368 262 M HN -0.039 nan 8.290 nan 0.000 0.416 263 A N 0.441 123.235 122.820 -0.043 0.000 1.908 263 A HA -0.149 4.170 4.320 -0.001 0.000 0.218 263 A C 2.145 179.792 177.584 0.104 0.000 1.181 263 A CA 1.344 53.386 52.037 0.008 0.000 0.627 263 A CB -0.742 18.310 19.000 0.087 0.000 0.818 263 A HN 0.341 nan 8.150 nan 0.000 0.445 264 L N -0.392 120.957 121.223 0.211 0.000 2.017 264 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 264 L C 3.021 179.943 176.870 0.087 0.000 1.073 264 L CA 1.910 56.847 54.840 0.161 0.000 0.745 264 L CB -1.313 40.880 42.059 0.223 0.000 0.894 264 L HN 0.410 nan 8.230 nan 0.000 0.432 265 A N -0.982 121.912 122.820 0.123 0.000 1.917 265 A HA -0.315 4.004 4.320 -0.001 0.000 0.219 265 A C 2.410 179.925 177.584 -0.115 0.000 1.182 265 A CA 2.349 54.446 52.037 0.100 0.000 0.633 265 A CB -0.646 18.486 19.000 0.220 0.000 0.819 265 A HN 0.493 nan 8.150 nan 0.000 0.448 266 M N -0.579 118.790 119.600 -0.384 0.000 2.086 266 M HA -0.098 4.381 4.480 -0.001 0.000 0.261 266 M C 1.897 177.966 176.300 -0.384 0.000 1.067 266 M CA 1.739 56.547 55.300 -0.818 0.000 1.116 266 M CB -0.270 31.692 32.600 -1.064 0.000 1.348 266 M HN 0.404 nan 8.290 nan 0.000 0.407 267 L N -0.282 120.832 121.223 -0.182 0.000 2.131 267 L HA -0.191 4.149 4.340 -0.001 0.000 0.210 267 L C 2.572 179.453 176.870 0.018 0.000 1.092 267 L CA 1.145 55.958 54.840 -0.045 0.000 0.759 267 L CB -0.613 41.442 42.059 -0.006 0.000 0.903 267 L HN 0.367 nan 8.230 nan 0.000 0.435 268 R N -0.641 119.871 120.500 0.020 0.000 2.090 268 R HA -0.099 4.240 4.340 -0.001 0.000 0.228 268 R C 2.139 178.491 176.300 0.087 0.000 1.110 268 R CA 0.774 56.905 56.100 0.052 0.000 0.973 268 R CB -0.138 30.199 30.300 0.063 0.000 0.869 268 R HN 0.219 nan 8.270 nan 0.000 0.440 269 L N 0.520 121.814 121.223 0.117 0.000 2.056 269 L HA -0.082 4.258 4.340 -0.001 0.000 0.207 269 L C 2.532 179.528 176.870 0.210 0.000 1.078 269 L CA 1.784 56.743 54.840 0.197 0.000 0.749 269 L CB -1.475 40.778 42.059 0.323 0.000 0.901 269 L HN 0.164 nan 8.230 nan 0.000 0.433 270 A N 0.085 123.094 122.820 0.315 0.000 1.908 270 A HA -0.243 4.076 4.320 -0.001 0.000 0.218 270 A C 2.042 179.689 177.584 0.106 0.000 1.181 270 A CA 1.949 54.138 52.037 0.252 0.000 0.627 270 A CB -0.626 18.542 19.000 0.281 0.000 0.818 270 A HN 0.442 nan 8.150 nan 0.000 0.445 271 N N -0.109 118.641 118.700 0.083 0.000 2.364 271 N HA -0.042 4.697 4.740 -0.001 0.000 0.183 271 N C 1.241 176.771 175.510 0.034 0.000 1.022 271 N CA 0.861 53.937 53.050 0.042 0.000 0.883 271 N CB -0.401 38.103 38.487 0.028 0.000 0.965 271 N HN 0.531 nan 8.380 nan 0.000 0.438 272 L N -1.141 120.113 121.223 0.053 0.000 2.599 272 L HA 0.183 4.522 4.340 -0.001 0.000 0.230 272 L C 1.138 178.022 176.870 0.022 0.000 1.141 272 L CA 0.311 55.176 54.840 0.043 0.000 0.877 272 L CB -0.166 41.936 42.059 0.071 0.000 1.009 272 L HN 0.238 nan 8.230 nan 0.000 0.447 273 G N 0.257 109.065 108.800 0.013 0.000 2.179 273 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.220 273 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.220 273 G C 0.258 175.127 174.900 -0.052 0.000 0.990 273 G CA 0.028 45.117 45.100 -0.019 0.000 0.646 273 G HN 0.183 nan 8.290 nan 0.000 0.517 274 V N -0.778 119.096 119.914 -0.067 0.000 2.614 274 V HA 0.728 4.848 4.120 -0.001 0.000 0.291 274 V C 0.954 176.888 176.094 -0.267 0.000 1.049 274 V CA 0.902 63.082 62.300 -0.199 0.000 1.038 274 V CB 1.507 33.146 31.823 -0.307 0.000 0.980 274 V HN 0.341 nan 8.190 nan 0.000 0.481 275 E N 4.013 124.062 120.200 -0.251 0.000 2.389 275 E HA 0.448 4.798 4.350 -0.001 0.000 0.199 275 E C 0.552 177.092 176.600 -0.100 0.000 0.978 275 E CA 0.604 56.926 56.400 -0.131 0.000 0.912 275 E CB 1.068 30.735 29.700 -0.055 0.000 0.907 275 E HN 0.953 nan 8.360 nan 0.000 0.494 276 A N 0.876 123.517 122.820 -0.299 0.000 2.393 276 A HA 0.622 4.941 4.320 -0.001 0.000 0.306 276 A C -1.434 175.922 177.584 -0.381 0.000 1.050 276 A CA -0.554 51.371 52.037 -0.186 0.000 0.724 276 A CB 0.639 19.569 19.000 -0.116 0.000 1.248 276 A HN 0.054 nan 8.150 nan 0.000 0.424 277 F N 1.414 121.396 119.950 0.053 0.000 2.402 277 F HA 0.484 5.010 4.527 -0.001 0.000 0.355 277 F C 0.812 176.669 175.800 0.096 0.000 1.123 277 F CA -0.325 57.718 58.000 0.072 0.000 1.021 277 F CB 1.730 40.768 39.000 0.065 0.000 1.160 277 F HN 0.665 nan 8.300 nan 0.000 0.451 278 R N 4.849 125.474 120.500 0.209 0.000 2.248 278 R HA 0.342 4.681 4.340 -0.001 0.000 0.337 278 R C -0.881 175.554 176.300 0.225 0.000 1.085 278 R CA -0.330 55.869 56.100 0.165 0.000 0.934 278 R CB 0.158 30.471 30.300 0.020 0.000 1.034 278 R HN 0.756 nan 8.270 nan 0.000 0.465 279 L N 4.973 126.314 121.223 0.197 0.000 2.395 279 L HA 0.119 4.458 4.340 -0.001 0.000 0.268 279 L C 0.163 177.082 176.870 0.081 0.000 1.223 279 L CA -0.340 54.592 54.840 0.153 0.000 1.093 279 L CB 0.034 42.158 42.059 0.109 0.000 1.349 279 L HN 0.636 nan 8.230 nan 0.000 0.427 280 D N 1.217 121.685 120.400 0.113 0.000 2.488 280 D HA -0.037 4.602 4.640 -0.001 0.000 0.238 280 D C 0.834 177.183 176.300 0.082 0.000 1.138 280 D CA 0.475 54.539 54.000 0.107 0.000 0.873 280 D CB 0.668 41.611 40.800 0.239 0.000 1.183 280 D HN 0.476 nan 8.370 nan 0.000 0.458 281 S N 1.568 117.330 115.700 0.103 0.000 3.477 281 S HA -0.263 4.206 4.470 -0.001 0.000 0.357 281 S C 1.320 176.083 174.600 0.271 0.000 1.083 281 S CA 0.870 59.249 58.200 0.298 0.000 1.042 281 S CB -1.895 61.549 63.200 0.407 0.000 0.911 281 S HN 0.725 nan 8.310 nan 0.000 0.490 282 T N -0.140 114.454 114.554 0.067 0.000 3.098 282 T HA 0.110 4.459 4.350 -0.001 0.000 0.266 282 T C 1.724 176.418 174.700 -0.010 0.000 1.145 282 T CA 1.314 63.408 62.100 -0.011 0.000 1.092 282 T CB -0.314 68.513 68.868 -0.068 0.000 0.908 282 T HN 0.747 nan 8.240 nan 0.000 0.526 283 A N -0.683 122.117 122.820 -0.034 0.000 2.123 283 A HA 0.158 4.477 4.320 -0.001 0.000 0.214 283 A C 1.465 178.940 177.584 -0.182 0.000 1.152 283 A CA 0.584 52.557 52.037 -0.106 0.000 0.728 283 A CB -0.453 18.395 19.000 -0.253 0.000 0.814 283 A HN 0.672 nan 8.150 nan 0.000 0.464 284 Y N -0.178 120.141 120.300 0.033 0.000 2.482 284 Y HA 0.199 4.748 4.550 -0.001 0.000 0.270 284 Y C 1.759 177.636 175.900 -0.038 0.000 1.152 284 Y CA -0.156 57.952 58.100 0.013 0.000 1.292 284 Y CB -0.325 38.175 38.460 0.066 0.000 1.070 284 Y HN 0.150 nan 8.280 nan 0.000 0.528 285 L N -1.004 120.258 121.223 0.064 0.000 2.064 285 L HA -0.278 4.061 4.340 -0.001 0.000 0.216 285 L C 1.045 177.960 176.870 0.075 0.000 1.077 285 L CA 1.401 56.206 54.840 -0.059 0.000 0.766 285 L CB -0.225 41.643 42.059 -0.317 0.000 0.890 285 L HN 0.414 nan 8.230 nan 0.000 0.435 286 W N 1.109 122.334 121.300 -0.126 0.000 2.475 286 W HA 0.321 4.980 4.660 -0.001 0.000 0.317 286 W C -0.580 175.870 176.519 -0.116 0.000 1.046 286 W CA -0.953 56.340 57.345 -0.087 0.000 1.215 286 W CB 1.430 30.840 29.460 -0.084 0.000 1.335 286 W HN -0.233 nan 8.180 nan 0.000 0.471 287 K N 4.657 124.717 120.400 -0.567 0.000 2.213 287 K HA 0.344 4.663 4.320 -0.001 0.000 0.270 287 K C -0.506 175.965 176.600 -0.216 0.000 1.002 287 K CA -0.365 55.623 56.287 -0.498 0.000 0.868 287 K CB 1.580 33.423 32.500 -1.095 0.000 1.093 287 K HN 0.407 nan 8.250 nan 0.000 0.454 288 R N 3.552 124.159 120.500 0.178 0.000 2.515 288 R HA 0.279 4.618 4.340 -0.001 0.000 0.291 288 R C -0.766 175.764 176.300 0.383 0.000 1.046 288 R CA -0.887 55.390 56.100 0.296 0.000 0.914 288 R CB 0.534 31.013 30.300 0.298 0.000 1.191 288 R HN 0.597 nan 8.270 nan 0.000 0.435 289 I N 2.380 123.099 120.570 0.247 0.000 2.880 289 I HA 0.235 4.404 4.170 -0.001 0.000 0.296 289 I C 1.369 177.485 176.117 -0.001 0.000 1.220 289 I CA 0.917 62.155 61.300 -0.104 0.000 1.435 289 I CB 0.179 37.955 38.000 -0.372 0.000 1.339 289 I HN 0.896 nan 8.210 nan 0.000 0.583 290 G N 2.521 111.308 108.800 -0.021 0.000 2.205 290 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.261 290 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.261 290 G C 0.378 175.312 174.900 0.056 0.000 0.980 290 G CA 0.453 45.556 45.100 0.005 0.000 0.632 290 G HN 1.301 nan 8.290 nan 0.000 0.533 291 T N -1.883 112.740 114.554 0.115 0.000 2.942 291 T HA 0.548 4.897 4.350 -0.001 0.000 0.289 291 T C 0.916 175.702 174.700 0.143 0.000 1.044 291 T CA 0.511 62.679 62.100 0.115 0.000 1.023 291 T CB 1.863 70.808 68.868 0.127 0.000 1.123 291 T HN 0.218 nan 8.240 nan 0.000 0.512 292 D N -0.835 119.626 120.400 0.103 0.000 2.378 292 D HA -0.025 4.615 4.640 -0.001 0.000 0.227 292 D C 0.804 177.182 176.300 0.130 0.000 1.012 292 D CA -0.180 53.882 54.000 0.103 0.000 0.905 292 D CB -1.457 39.375 40.800 0.054 0.000 0.895 292 D HN 0.715 nan 8.370 nan 0.000 0.532 293 C N -0.240 119.147 119.300 0.144 0.000 4.350 293 C HA -0.186 4.274 4.460 -0.001 0.000 0.302 293 C C 0.053 175.068 174.990 0.042 0.000 1.390 293 C CA 0.049 59.146 59.018 0.132 0.000 2.016 293 C CB -2.798 25.056 27.740 0.189 0.000 1.271 293 C HN 0.523 nan 8.230 nan 0.000 0.760 294 M N -0.848 118.744 119.600 -0.013 0.000 2.501 294 M HA 0.351 4.831 4.480 -0.001 0.000 0.293 294 M C 0.600 176.864 176.300 -0.060 0.000 1.192 294 M CA -0.293 54.929 55.300 -0.131 0.000 0.886 294 M CB 1.591 34.038 32.600 -0.256 0.000 1.710 294 M HN 0.286 nan 8.290 nan 0.000 0.457 295 N N -0.358 118.303 118.700 -0.065 0.000 2.681 295 N HA -0.181 4.558 4.740 -0.001 0.000 0.250 295 N C -0.734 174.755 175.510 -0.036 0.000 1.133 295 N CA 0.477 53.508 53.050 -0.030 0.000 0.732 295 N CB -0.968 37.559 38.487 0.065 0.000 1.107 295 N HN 0.553 nan 8.380 nan 0.000 0.559 296 Q N 0.252 120.033 119.800 -0.032 0.000 2.428 296 Q HA 0.048 4.387 4.340 -0.001 0.000 0.276 296 Q C 1.375 177.342 176.000 -0.056 0.000 1.059 296 Q CA 0.359 56.164 55.803 0.003 0.000 0.923 296 Q CB 0.889 29.696 28.738 0.115 0.000 1.283 296 Q HN 0.248 nan 8.270 nan 0.000 0.447 297 S N 1.952 117.613 115.700 -0.064 0.000 2.374 297 S HA -0.221 4.248 4.470 -0.001 0.000 0.227 297 S C 1.244 175.710 174.600 -0.224 0.000 1.037 297 S CA 1.884 60.032 58.200 -0.088 0.000 1.024 297 S CB 0.216 63.336 63.200 -0.134 0.000 0.861 297 S HN 0.556 nan 8.310 nan 0.000 0.456 298 E N 1.076 120.995 120.200 -0.470 0.000 2.153 298 E HA 0.042 4.392 4.350 -0.001 0.000 0.194 298 E C 2.259 178.565 176.600 -0.491 0.000 0.988 298 E CA 1.037 56.977 56.400 -0.766 0.000 0.811 298 E CB -0.474 28.087 29.700 -1.897 0.000 0.746 298 E HN 0.577 nan 8.360 nan 0.000 0.466 299 A N 0.866 123.494 122.820 -0.320 0.000 1.940 299 A HA -0.240 4.080 4.320 -0.001 0.000 0.219 299 A C 1.776 179.161 177.584 -0.331 0.000 1.176 299 A CA 1.587 53.462 52.037 -0.269 0.000 0.631 299 A CB -0.663 18.176 19.000 -0.269 0.000 0.814 299 A HN 0.300 nan 8.150 nan 0.000 0.446 300 H N -0.460 118.468 119.070 -0.236 0.000 2.389 300 H HA -0.066 4.489 4.556 -0.001 0.000 0.299 300 H C 2.262 177.480 175.328 -0.184 0.000 1.081 300 H CA 1.855 57.761 56.048 -0.236 0.000 1.345 300 H CB -0.592 28.994 29.762 -0.295 0.000 1.393 300 H HN 0.478 nan 8.280 nan 0.000 0.520 301 T N 1.597 116.079 114.554 -0.121 0.000 2.821 301 T HA -0.068 4.282 4.350 -0.001 0.000 0.267 301 T C 2.457 177.085 174.700 -0.120 0.000 1.046 301 T CA 0.546 62.556 62.100 -0.151 0.000 1.139 301 T CB -0.286 68.420 68.868 -0.269 0.000 0.871 301 T HN 0.166 nan 8.240 nan 0.000 0.454 302 L N 0.128 121.268 121.223 -0.138 0.000 2.046 302 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 302 L C 2.317 179.231 176.870 0.074 0.000 1.077 302 L CA 0.907 55.738 54.840 -0.014 0.000 0.747 302 L CB -0.513 41.491 42.059 -0.092 0.000 0.896 302 L HN 0.219 nan 8.230 nan 0.000 0.432 303 L N -1.175 120.045 121.223 -0.006 0.000 2.056 303 L HA -0.155 4.184 4.340 -0.001 0.000 0.207 303 L C 2.396 179.314 176.870 0.079 0.000 1.078 303 L CA 1.261 56.125 54.840 0.040 0.000 0.749 303 L CB -0.777 41.302 42.059 0.032 0.000 0.901 303 L HN -0.039 nan 8.230 nan 0.000 0.433 304 V N -0.296 119.651 119.914 0.055 0.000 2.332 304 V HA -0.325 3.795 4.120 -0.001 0.000 0.248 304 V C 2.679 178.831 176.094 0.098 0.000 1.055 304 V CA 1.691 64.028 62.300 0.062 0.000 1.038 304 V CB -1.075 30.764 31.823 0.026 0.000 0.651 304 V HN 0.502 nan 8.190 nan 0.000 0.450 305 A N -0.281 122.613 122.820 0.123 0.000 1.877 305 A HA -0.154 4.165 4.320 -0.001 0.000 0.216 305 A C 2.199 180.000 177.584 0.362 0.000 1.186 305 A CA 1.805 53.971 52.037 0.215 0.000 0.620 305 A CB -0.556 18.524 19.000 0.135 0.000 0.822 305 A HN 0.495 nan 8.150 nan 0.000 0.443 306 L N -1.047 120.402 121.223 0.377 0.000 2.083 306 L HA -0.203 4.136 4.340 -0.001 0.000 0.209 306 L C 2.760 179.734 176.870 0.174 0.000 1.083 306 L CA 1.698 56.708 54.840 0.283 0.000 0.752 306 L CB -0.462 41.710 42.059 0.188 0.000 0.899 306 L HN 0.392 nan 8.230 nan 0.000 0.433 307 R N 0.849 121.430 120.500 0.136 0.000 2.081 307 R HA -0.132 4.207 4.340 -0.001 0.000 0.235 307 R C 2.185 178.529 176.300 0.073 0.000 1.131 307 R CA 1.789 57.942 56.100 0.090 0.000 0.960 307 R CB -0.737 29.594 30.300 0.051 0.000 0.856 307 R HN 0.301 nan 8.270 nan 0.000 0.436 308 A N -0.127 122.747 122.820 0.089 0.000 1.877 308 A HA -0.093 4.226 4.320 -0.001 0.000 0.216 308 A C 2.370 179.983 177.584 0.049 0.000 1.186 308 A CA 1.780 53.844 52.037 0.045 0.000 0.620 308 A CB -0.835 18.211 19.000 0.077 0.000 0.822 308 A HN 0.182 nan 8.150 nan 0.000 0.443 309 V N 0.735 120.741 119.914 0.155 0.000 2.324 309 V HA -0.290 3.829 4.120 -0.001 0.000 0.250 309 V C 3.048 179.196 176.094 0.091 0.000 1.060 309 V CA 2.632 65.034 62.300 0.169 0.000 1.042 309 V CB -1.513 30.488 31.823 0.296 0.000 0.650 309 V HN 0.876 nan 8.190 nan 0.000 0.450 310 T N -2.606 111.995 114.554 0.079 0.000 2.904 310 T HA -0.183 4.166 4.350 -0.001 0.000 0.267 310 T C 1.554 176.279 174.700 0.041 0.000 1.059 310 T CA 1.400 63.544 62.100 0.074 0.000 1.137 310 T CB -0.419 68.517 68.868 0.114 0.000 0.879 310 T HN 0.426 nan 8.240 nan 0.000 0.467 311 D N 1.212 121.582 120.400 -0.050 0.000 2.178 311 D HA 0.037 4.676 4.640 -0.001 0.000 0.201 311 D C 2.009 178.211 176.300 -0.162 0.000 0.980 311 D CA 0.867 54.735 54.000 -0.220 0.000 0.842 311 D CB -0.145 40.229 40.800 -0.711 0.000 0.948 311 D HN 0.490 nan 8.370 nan 0.000 0.472 312 I N -0.036 120.492 120.570 -0.070 0.000 2.296 312 I HA -0.151 4.018 4.170 -0.001 0.000 0.242 312 I C 2.288 178.482 176.117 0.129 0.000 1.087 312 I CA 0.526 61.859 61.300 0.055 0.000 1.393 312 I CB 0.071 38.074 38.000 0.006 0.000 1.093 312 I HN -0.148 nan 8.210 nan 0.000 0.421 313 V N 0.343 120.330 119.914 0.122 0.000 2.599 313 V HA 0.168 4.287 4.120 -0.001 0.000 0.245 313 V C 0.890 177.045 176.094 0.101 0.000 1.046 313 V CA 1.042 63.427 62.300 0.142 0.000 1.065 313 V CB -0.140 31.762 31.823 0.133 0.000 0.703 313 V HN 0.438 nan 8.190 nan 0.000 0.464 314 A N -0.248 122.625 122.820 0.089 0.000 3.300 314 A HA 0.596 4.916 4.320 -0.001 0.000 0.300 314 A C -2.115 175.525 177.584 0.093 0.000 1.099 314 A CA -0.686 51.402 52.037 0.084 0.000 0.846 314 A CB 0.471 19.527 19.000 0.093 0.000 1.255 314 A HN 0.267 nan 8.150 nan 0.000 0.519 315 P HA -0.099 nan 4.420 nan 0.000 0.225 315 P C 1.492 178.851 177.300 0.098 0.000 1.148 315 P CA 1.570 64.726 63.100 0.094 0.000 0.779 315 P CB 0.293 32.041 31.700 0.080 0.000 0.780 316 A N -0.815 122.027 122.820 0.036 0.000 2.119 316 A HA 0.020 4.339 4.320 -0.001 0.000 0.217 316 A C 1.152 178.742 177.584 0.009 0.000 1.153 316 A CA 0.526 52.520 52.037 -0.071 0.000 0.692 316 A CB -0.935 17.972 19.000 -0.155 0.000 0.799 316 A HN 0.065 nan 8.150 nan 0.000 0.458 317 V N 0.298 120.284 119.914 0.120 0.000 2.775 317 V HA 0.304 4.423 4.120 -0.001 0.000 0.299 317 V C -0.003 176.215 176.094 0.206 0.000 1.062 317 V CA -0.069 62.355 62.300 0.206 0.000 1.063 317 V CB 1.559 33.556 31.823 0.290 0.000 0.994 317 V HN 0.151 nan 8.190 nan 0.000 0.483 318 V N 5.349 125.376 119.914 0.188 0.000 2.769 318 V HA 0.522 4.641 4.120 -0.001 0.000 0.312 318 V C -0.241 176.001 176.094 0.248 0.000 1.061 318 V CA -0.677 61.595 62.300 -0.046 0.000 0.931 318 V CB 2.011 33.632 31.823 -0.336 0.000 1.010 318 V HN 0.800 nan 8.190 nan 0.000 0.433 319 M N 3.820 123.662 119.600 0.403 0.000 2.227 319 M HA 0.494 4.973 4.480 -0.001 0.000 0.335 319 M C -0.608 175.804 176.300 0.187 0.000 1.053 319 M CA -0.307 55.179 55.300 0.309 0.000 0.973 319 M CB 1.663 34.417 32.600 0.257 0.000 1.623 319 M HN 0.529 nan 8.290 nan 0.000 0.434 320 K N 2.647 123.140 120.400 0.156 0.000 2.394 320 K HA 0.714 5.034 4.320 -0.001 0.000 0.260 320 K C -1.060 175.601 176.600 0.102 0.000 0.967 320 K CA -0.407 55.939 56.287 0.098 0.000 0.855 320 K CB 1.431 33.985 32.500 0.089 0.000 1.101 320 K HN 0.795 nan 8.250 nan 0.000 0.433 321 A N 3.394 126.231 122.820 0.028 0.000 2.354 321 A HA 0.133 4.452 4.320 -0.001 0.000 0.269 321 A C 0.563 178.122 177.584 -0.042 0.000 1.109 321 A CA -0.309 51.678 52.037 -0.083 0.000 0.800 321 A CB 1.185 20.029 19.000 -0.261 0.000 1.045 321 A HN 0.997 nan 8.150 nan 0.000 0.489 322 Q N 2.206 121.929 119.800 -0.130 0.000 2.205 322 Q HA 0.399 4.738 4.340 -0.001 0.000 0.193 322 Q C 0.661 176.521 176.000 -0.233 0.000 0.995 322 Q CA 0.691 56.404 55.803 -0.150 0.000 0.842 322 Q CB 0.014 28.639 28.738 -0.188 0.000 0.941 322 Q HN 1.800 nan 8.270 nan 0.000 0.515 323 A N 1.563 124.223 122.820 -0.268 0.000 1.565 323 A HA -0.148 4.171 4.320 -0.001 0.000 0.204 323 A C -0.170 177.327 177.584 -0.144 0.000 1.246 323 A CA 0.315 52.190 52.037 -0.270 0.000 0.672 323 A CB -1.348 17.301 19.000 -0.585 0.000 1.156 323 A HN 0.459 nan 8.150 nan 0.000 0.201 324 I N 4.201 124.722 120.570 -0.082 0.000 2.227 324 I HA 0.313 4.482 4.170 -0.001 0.000 0.297 324 I C 0.764 176.861 176.117 -0.033 0.000 1.173 324 I CA 0.396 61.668 61.300 -0.046 0.000 1.356 324 I CB -0.751 37.220 38.000 -0.049 0.000 1.485 324 I HN 0.761 nan 8.210 nan 0.000 0.604 325 V N 4.613 124.517 119.914 -0.017 0.000 3.158 325 V HA 0.753 4.872 4.120 -0.001 0.000 0.311 325 V C -2.684 173.428 176.094 0.030 0.000 1.181 325 V CA -2.195 60.105 62.300 0.001 0.000 1.054 325 V CB 1.957 33.786 31.823 0.010 0.000 1.085 325 V HN 0.296 nan 8.190 nan 0.000 0.446 326 P HA 0.127 nan 4.420 nan 0.000 0.271 326 P C 0.707 178.041 177.300 0.057 0.000 1.218 326 P CA -0.108 63.021 63.100 0.048 0.000 0.780 326 P CB 0.837 32.559 31.700 0.036 0.000 0.901 327 M N 3.934 123.576 119.600 0.070 0.000 2.270 327 M HA -0.266 4.214 4.480 -0.001 0.000 0.254 327 M C 1.896 178.247 176.300 0.086 0.000 1.072 327 M CA 3.200 58.548 55.300 0.079 0.000 1.077 327 M CB -1.999 30.669 32.600 0.113 0.000 1.288 327 M HN 0.569 nan 8.290 nan 0.000 0.424 328 T N -2.702 111.885 114.554 0.056 0.000 2.869 328 T HA -0.201 4.148 4.350 -0.001 0.000 0.270 328 T C 1.637 176.366 174.700 0.048 0.000 1.082 328 T CA 1.785 63.909 62.100 0.040 0.000 1.123 328 T CB -0.449 68.409 68.868 -0.017 0.000 0.856 328 T HN 0.541 nan 8.240 nan 0.000 0.499 329 Q N -0.310 119.531 119.800 0.069 0.000 2.392 329 Q HA 0.457 4.796 4.340 -0.001 0.000 0.203 329 Q C 1.928 178.051 176.000 0.205 0.000 0.917 329 Q CA 0.178 56.045 55.803 0.106 0.000 0.939 329 Q CB -0.196 28.611 28.738 0.115 0.000 1.063 329 Q HN 0.535 nan 8.270 nan 0.000 0.516 330 L N 0.084 121.419 121.223 0.187 0.000 2.034 330 L HA -0.045 4.295 4.340 -0.001 0.000 0.203 330 L C -0.798 176.166 176.870 0.158 0.000 1.074 330 L CA 0.983 55.961 54.840 0.231 0.000 0.748 330 L CB -1.096 41.091 42.059 0.213 0.000 0.905 330 L HN 0.116 nan 8.230 nan 0.000 0.439 331 P HA -0.156 nan 4.420 nan 0.000 0.217 331 P C -1.552 175.771 177.300 0.038 0.000 1.148 331 P CA 1.450 64.672 63.100 0.203 0.000 0.834 331 P CB -0.940 30.913 31.700 0.254 0.000 0.783 332 P HA -0.112 nan 4.420 nan 0.000 0.234 332 P C 0.772 177.810 177.300 -0.436 0.000 1.167 332 P CA 1.090 63.994 63.100 -0.326 0.000 0.763 332 P CB -0.449 30.941 31.700 -0.517 0.000 0.835 333 Y N -1.905 118.290 120.300 -0.174 0.000 2.583 333 Y HA 0.034 4.583 4.550 -0.001 0.000 0.293 333 Y C 1.643 177.397 175.900 -0.244 0.000 1.157 333 Y CA 0.721 58.741 58.100 -0.134 0.000 1.315 333 Y CB -0.731 37.582 38.460 -0.245 0.000 1.021 333 Y HN -0.147 nan 8.280 nan 0.000 0.536 334 F N -0.366 119.581 119.950 -0.004 0.000 2.765 334 F HA 0.396 4.922 4.527 -0.001 0.000 0.302 334 F C 1.330 177.070 175.800 -0.101 0.000 1.111 334 F CA 0.258 58.210 58.000 -0.080 0.000 1.359 334 F CB -0.190 38.724 39.000 -0.142 0.000 1.097 334 F HN -0.075 nan 8.300 nan 0.000 0.577 335 G N 0.069 108.881 108.800 0.020 0.000 2.697 335 G HA2 0.062 4.021 3.960 -0.001 0.000 0.686 335 G HA3 0.062 4.021 3.960 -0.001 0.000 0.686 335 G C -0.786 174.071 174.900 -0.072 0.000 1.179 335 G CA -0.904 44.174 45.100 -0.037 0.000 0.765 335 G HN 0.105 nan 8.290 nan 0.000 0.649 336 S N 0.550 116.186 115.700 -0.106 0.000 2.526 336 S HA 0.894 5.364 4.470 -0.001 0.000 0.293 336 S C 1.233 175.796 174.600 -0.062 0.000 1.092 336 S CA 0.789 58.927 58.200 -0.103 0.000 0.980 336 S CB 1.462 64.561 63.200 -0.169 0.000 1.048 336 S HN 2.640 nan 8.310 nan 0.000 0.483 337 G N 1.913 110.684 108.800 -0.047 0.000 2.698 337 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.337 337 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.337 337 G C 1.234 176.133 174.900 -0.002 0.000 1.286 337 G CA 0.805 45.887 45.100 -0.030 0.000 1.000 337 G HN 1.356 nan 8.290 nan 0.000 0.547 338 V N 0.793 120.704 119.914 -0.006 0.000 2.363 338 V HA -0.152 3.967 4.120 -0.001 0.000 0.254 338 V C 1.813 177.947 176.094 0.067 0.000 1.074 338 V CA 3.436 65.744 62.300 0.013 0.000 1.069 338 V CB -0.433 31.380 31.823 -0.016 0.000 0.659 338 V HN 0.649 nan 8.190 nan 0.000 0.455 339 D N -0.213 120.222 120.400 0.059 0.000 2.368 339 D HA 0.123 4.763 4.640 -0.001 0.000 0.218 339 D C 0.676 177.052 176.300 0.126 0.000 1.112 339 D CA -0.029 54.050 54.000 0.133 0.000 0.834 339 D CB 0.204 41.033 40.800 0.048 0.000 0.953 339 D HN 0.727 nan 8.370 nan 0.000 0.505 340 E N 0.217 120.452 120.200 0.058 0.000 2.415 340 E HA 0.207 4.557 4.350 -0.001 0.000 0.263 340 E C 1.054 177.567 176.600 -0.144 0.000 0.995 340 E CA 0.500 56.887 56.400 -0.023 0.000 0.915 340 E CB 0.387 30.066 29.700 -0.035 0.000 0.951 340 E HN 0.264 nan 8.360 nan 0.000 0.449 341 G N 4.475 113.173 108.800 -0.170 0.000 2.179 341 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.260 341 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.260 341 G C 0.261 174.878 174.900 -0.471 0.000 0.977 341 G CA 0.379 45.292 45.100 -0.312 0.000 0.641 341 G HN 0.744 nan 8.290 nan 0.000 0.533 342 H N -0.291 118.784 119.070 0.007 0.000 2.562 342 H HA 0.431 4.986 4.556 -0.001 0.000 0.249 342 H C 0.863 176.174 175.328 -0.028 0.000 1.195 342 H CA 0.490 56.534 56.048 -0.006 0.000 0.938 342 H CB 0.708 30.484 29.762 0.023 0.000 1.891 342 H HN 0.684 nan 8.280 nan 0.000 0.595 343 E N -0.240 119.968 120.200 0.012 0.000 4.381 343 E HA 0.257 4.606 4.350 -0.001 0.000 0.212 343 E C -0.361 176.210 176.600 -0.048 0.000 1.112 343 E CA -0.362 56.048 56.400 0.016 0.000 0.938 343 E CB 1.014 30.740 29.700 0.043 0.000 2.387 343 E HN 0.125 nan 8.360 nan 0.000 0.486 344 C N 1.803 121.112 119.300 0.015 0.000 2.463 344 C HA 0.305 4.764 4.460 -0.001 0.000 0.380 344 C C 1.367 176.388 174.990 0.052 0.000 1.264 344 C CA -0.381 58.647 59.018 0.016 0.000 2.161 344 C CB -0.177 27.588 27.740 0.042 0.000 2.515 344 C HN 0.625 nan 8.230 nan 0.000 0.565 345 H N 0.837 119.925 119.070 0.029 0.000 2.525 345 H HA 0.244 4.800 4.556 -0.001 0.000 0.275 345 H C 0.028 175.343 175.328 -0.022 0.000 0.984 345 H CA 0.915 56.916 56.048 -0.079 0.000 1.264 345 H CB 0.304 29.720 29.762 -0.577 0.000 1.432 345 H HN 0.457 nan 8.280 nan 0.000 0.549 346 L N -0.243 121.060 121.223 0.134 0.000 2.376 346 L HA 0.677 5.016 4.340 -0.001 0.000 0.258 346 L C -0.876 176.041 176.870 0.077 0.000 1.013 346 L CA -1.064 53.857 54.840 0.135 0.000 0.822 346 L CB 2.646 44.669 42.059 -0.059 0.000 1.388 346 L HN -0.048 nan 8.230 nan 0.000 0.413 347 A N 0.775 123.654 122.820 0.098 0.000 2.459 347 A HA 0.639 4.958 4.320 -0.001 0.000 0.296 347 A C -1.750 176.014 177.584 0.299 0.000 1.039 347 A CA -0.426 51.641 52.037 0.050 0.000 0.698 347 A CB 0.837 19.673 19.000 -0.273 0.000 1.261 347 A HN 0.487 nan 8.150 nan 0.000 0.405 348 Y N 2.184 122.554 120.300 0.116 0.000 2.544 348 Y HA 0.088 4.637 4.550 -0.001 0.000 0.330 348 Y C 1.170 177.281 175.900 0.350 0.000 1.136 348 Y CA 1.103 59.307 58.100 0.174 0.000 1.417 348 Y CB 0.358 38.797 38.460 -0.035 0.000 1.229 348 Y HN 0.700 nan 8.280 nan 0.000 0.532 349 H N 3.427 122.775 119.070 0.463 0.000 2.923 349 H HA 0.098 4.653 4.556 -0.001 0.000 0.251 349 H C 0.882 176.299 175.328 0.148 0.000 1.741 349 H CA -0.247 55.884 56.048 0.139 0.000 1.387 349 H CB 0.007 29.612 29.762 -0.262 0.000 1.740 349 H HN 0.807 nan 8.280 nan 0.000 0.544 350 S N 0.987 116.919 115.700 0.388 0.000 2.419 350 S HA -0.133 4.336 4.470 -0.001 0.000 0.233 350 S C 1.907 176.562 174.600 0.091 0.000 1.016 350 S CA 1.215 59.558 58.200 0.238 0.000 0.974 350 S CB 0.033 63.340 63.200 0.178 0.000 0.786 350 S HN 0.446 nan 8.310 nan 0.000 0.492 351 T N 2.691 117.356 114.554 0.185 0.000 2.770 351 T HA 0.101 4.450 4.350 -0.001 0.000 0.263 351 T C 1.675 176.349 174.700 -0.044 0.000 1.039 351 T CA 1.090 63.255 62.100 0.109 0.000 1.142 351 T CB -0.486 68.482 68.868 0.166 0.000 0.868 351 T HN 0.275 nan 8.240 nan 0.000 0.435 352 L N 1.341 122.440 121.223 -0.207 0.000 2.046 352 L HA 0.010 4.349 4.340 -0.001 0.000 0.208 352 L C 2.327 178.973 176.870 -0.372 0.000 1.077 352 L CA 1.716 56.234 54.840 -0.537 0.000 0.747 352 L CB -0.665 40.796 42.059 -0.998 0.000 0.896 352 L HN 0.183 nan 8.230 nan 0.000 0.432 353 M N -0.582 118.809 119.600 -0.349 0.000 2.067 353 M HA -0.167 4.312 4.480 -0.001 0.000 0.260 353 M C 2.228 178.396 176.300 -0.221 0.000 1.069 353 M CA 2.309 57.352 55.300 -0.428 0.000 1.117 353 M CB -0.850 31.240 32.600 -0.850 0.000 1.334 353 M HN 0.373 nan 8.290 nan 0.000 0.407 354 A N 0.053 122.785 122.820 -0.147 0.000 1.933 354 A HA 0.035 4.354 4.320 -0.001 0.000 0.218 354 A C 2.344 180.017 177.584 0.148 0.000 1.175 354 A CA 2.014 54.052 52.037 0.001 0.000 0.628 354 A CB -1.117 17.878 19.000 -0.009 0.000 0.814 354 A HN 0.669 nan 8.150 nan 0.000 0.444 355 A N -0.465 122.341 122.820 -0.024 0.000 1.972 355 A HA 0.155 4.475 4.320 -0.001 0.000 0.219 355 A C 2.321 179.780 177.584 -0.208 0.000 1.169 355 A CA 1.778 53.741 52.037 -0.124 0.000 0.635 355 A CB -1.191 17.661 19.000 -0.247 0.000 0.810 355 A HN 0.663 nan 8.150 nan 0.000 0.446 356 G N -1.315 107.346 108.800 -0.232 0.000 2.404 356 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.215 356 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.215 356 G C 1.376 176.204 174.900 -0.121 0.000 1.174 356 G CA 0.891 45.825 45.100 -0.277 0.000 0.780 356 G HN 0.666 nan 8.290 nan 0.000 0.537 357 W N 1.280 122.616 121.300 0.060 0.000 2.402 357 W HA 0.035 4.694 4.660 -0.001 0.000 0.286 357 W C 3.110 179.827 176.519 0.329 0.000 1.221 357 W CA 1.030 58.491 57.345 0.193 0.000 1.257 357 W CB -0.063 29.451 29.460 0.090 0.000 1.120 357 W HN 0.127 nan 8.180 nan 0.000 0.551 358 S N 0.371 116.325 115.700 0.423 0.000 2.345 358 S HA -0.184 4.286 4.470 -0.001 0.000 0.220 358 S C 2.075 176.658 174.600 -0.028 0.000 1.031 358 S CA 1.462 59.761 58.200 0.164 0.000 0.996 358 S CB -1.058 62.158 63.200 0.028 0.000 0.882 358 S HN 0.266 nan 8.310 nan 0.000 0.445 359 A N 1.399 124.119 122.820 -0.168 0.000 1.917 359 A HA -0.141 4.179 4.320 -0.001 0.000 0.219 359 A C 2.158 179.807 177.584 0.109 0.000 1.182 359 A CA 1.687 53.556 52.037 -0.280 0.000 0.633 359 A CB -0.825 17.714 19.000 -0.768 0.000 0.819 359 A HN 0.411 nan 8.150 nan 0.000 0.448 360 L N -0.442 120.993 121.223 0.353 0.000 1.994 360 L HA -0.064 4.275 4.340 -0.001 0.000 0.208 360 L C 2.757 179.783 176.870 0.261 0.000 1.071 360 L CA 2.311 57.432 54.840 0.470 0.000 0.745 360 L CB -0.728 41.574 42.059 0.405 0.000 0.892 360 L HN 0.343 nan 8.230 nan 0.000 0.431 361 A N -0.682 122.198 122.820 0.101 0.000 1.902 361 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 361 A C 2.153 179.470 177.584 -0.445 0.000 1.181 361 A CA 2.013 53.722 52.037 -0.547 0.000 0.623 361 A CB -0.886 17.639 19.000 -0.792 0.000 0.818 361 A HN 0.508 nan 8.150 nan 0.000 0.443 362 L N -1.429 119.674 121.223 -0.200 0.000 2.558 362 L HA 0.038 4.378 4.340 -0.001 0.000 0.225 362 L C 0.333 177.172 176.870 -0.052 0.000 1.128 362 L CA 0.125 54.877 54.840 -0.147 0.000 0.868 362 L CB -0.344 41.629 42.059 -0.144 0.000 1.006 362 L HN 0.461 nan 8.230 nan 0.000 0.454 363 Q N 1.191 121.020 119.800 0.050 0.000 2.452 363 Q HA -0.198 4.142 4.340 -0.001 0.000 0.318 363 Q C -0.284 175.757 176.000 0.068 0.000 1.386 363 Q CA 0.607 56.494 55.803 0.141 0.000 0.872 363 Q CB -1.034 27.762 28.738 0.096 0.000 1.151 363 Q HN 0.507 nan 8.270 nan 0.000 0.417 364 R N -0.777 119.721 120.500 -0.004 0.000 2.472 364 R HA 0.236 4.576 4.340 -0.001 0.000 0.294 364 R C 1.190 177.345 176.300 -0.242 0.000 1.243 364 R CA 0.120 56.157 56.100 -0.105 0.000 1.023 364 R CB 0.936 31.133 30.300 -0.172 0.000 1.157 364 R HN 0.309 nan 8.270 nan 0.000 0.530 365 G N 1.864 110.582 108.800 -0.138 0.000 2.448 365 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.219 365 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.219 365 G C 1.117 175.878 174.900 -0.231 0.000 1.127 365 G CA 0.840 45.794 45.100 -0.243 0.000 0.766 365 G HN 0.668 nan 8.290 nan 0.000 0.552 366 D N 1.005 121.327 120.400 -0.129 0.000 2.265 366 D HA -0.129 4.511 4.640 -0.001 0.000 0.208 366 D C 2.174 178.382 176.300 -0.153 0.000 0.977 366 D CA 0.441 54.398 54.000 -0.072 0.000 0.871 366 D CB -0.423 40.350 40.800 -0.045 0.000 0.925 366 D HN 0.429 nan 8.370 nan 0.000 0.485 367 I N -0.137 120.233 120.570 -0.332 0.000 2.439 367 I HA -0.158 4.011 4.170 -0.001 0.000 0.251 367 I C 2.424 178.253 176.117 -0.481 0.000 1.139 367 I CA 0.437 61.478 61.300 -0.432 0.000 1.438 367 I CB -0.005 37.598 38.000 -0.662 0.000 1.085 367 I HN -0.020 nan 8.210 nan 0.000 0.427 368 L N -0.312 120.497 121.223 -0.691 0.000 2.072 368 L HA -0.214 4.125 4.340 -0.001 0.000 0.205 368 L C 2.667 179.114 176.870 -0.706 0.000 1.079 368 L CA 1.172 55.410 54.840 -1.004 0.000 0.752 368 L CB -0.797 40.097 42.059 -1.941 0.000 0.906 368 L HN 0.276 nan 8.230 nan 0.000 0.436 369 H N 0.422 119.248 119.070 -0.407 0.000 2.353 369 H HA -0.241 4.315 4.556 -0.001 0.000 0.298 369 H C 2.089 177.413 175.328 -0.006 0.000 1.103 369 H CA 2.274 58.343 56.048 0.035 0.000 1.293 369 H CB -0.062 29.760 29.762 0.100 0.000 1.372 369 H HN 0.246 nan 8.280 nan 0.000 0.501 370 N N -0.239 118.350 118.700 -0.184 0.000 2.069 370 N HA -0.148 4.591 4.740 -0.001 0.000 0.191 370 N C 1.982 177.381 175.510 -0.184 0.000 1.031 370 N CA 1.830 54.769 53.050 -0.186 0.000 0.852 370 N CB -0.492 37.892 38.487 -0.171 0.000 1.018 370 N HN 0.264 nan 8.380 nan 0.000 0.423 371 V N 0.971 120.755 119.914 -0.218 0.000 2.287 371 V HA -0.213 3.906 4.120 -0.001 0.000 0.248 371 V C 2.268 178.319 176.094 -0.072 0.000 1.053 371 V CA 1.244 63.454 62.300 -0.150 0.000 1.027 371 V CB -0.523 31.150 31.823 -0.250 0.000 0.646 371 V HN 0.346 nan 8.190 nan 0.000 0.447 372 I N 0.619 121.121 120.570 -0.113 0.000 2.252 372 I HA -0.181 3.989 4.170 -0.001 0.000 0.245 372 I C 2.710 178.829 176.117 0.003 0.000 1.102 372 I CA 1.914 63.202 61.300 -0.020 0.000 1.385 372 I CB -1.696 36.359 38.000 0.091 0.000 1.064 372 I HN 0.314 nan 8.210 nan 0.000 0.414 373 A N -0.174 122.591 122.820 -0.091 0.000 1.972 373 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 373 A C 1.893 179.513 177.584 0.061 0.000 1.169 373 A CA 1.574 53.578 52.037 -0.056 0.000 0.635 373 A CB -0.968 17.926 19.000 -0.176 0.000 0.810 373 A HN 0.492 nan 8.150 nan 0.000 0.446 374 H N -0.585 118.467 119.070 -0.030 0.000 2.539 374 H HA 0.294 4.849 4.556 -0.001 0.000 0.269 374 H C -0.038 175.335 175.328 0.075 0.000 0.980 374 H CA 0.117 56.185 56.048 0.033 0.000 1.152 374 H CB 0.184 29.976 29.762 0.050 0.000 1.407 374 H HN 0.273 nan 8.280 nan 0.000 0.564 375 S N 3.670 119.477 115.700 0.179 0.000 2.399 375 S HA 0.165 4.634 4.470 -0.001 0.000 0.301 375 S C -2.206 172.529 174.600 0.225 0.000 1.093 375 S CA -1.265 57.072 58.200 0.228 0.000 1.077 375 S CB 0.815 64.146 63.200 0.218 0.000 0.980 375 S HN 0.248 nan 8.310 nan 0.000 0.494 376 P HA 0.189 nan 4.420 nan 0.000 0.270 376 P C -2.620 174.783 177.300 0.172 0.000 1.223 376 P CA -1.250 61.945 63.100 0.159 0.000 0.785 376 P CB -0.473 31.310 31.700 0.139 0.000 0.923 377 P HA 0.132 nan 4.420 nan 0.000 0.268 377 P C -0.119 177.155 177.300 -0.044 0.000 1.204 377 P CA 0.064 63.186 63.100 0.037 0.000 0.768 377 P CB 0.574 32.274 31.700 0.001 0.000 0.842 378 L N 5.117 126.264 121.223 -0.126 0.000 2.416 378 L HA 0.209 4.548 4.340 -0.001 0.000 0.272 378 L C -1.596 175.076 176.870 -0.331 0.000 1.161 378 L CA -1.607 53.006 54.840 -0.378 0.000 0.845 378 L CB -0.563 41.197 42.059 -0.498 0.000 1.119 378 L HN 0.306 nan 8.230 nan 0.000 0.464 379 P HA 0.100 nan 4.420 nan 0.000 0.273 379 P C -0.800 176.340 177.300 -0.267 0.000 1.250 379 P CA -0.770 62.171 63.100 -0.266 0.000 0.793 379 P CB 0.390 31.953 31.700 -0.228 0.000 1.011 380 R N 1.645 122.011 120.500 -0.223 0.000 2.494 380 R HA -0.099 4.240 4.340 -0.001 0.000 0.291 380 R C 0.086 176.273 176.300 -0.187 0.000 0.953 380 R CA 0.803 56.732 56.100 -0.286 0.000 1.098 380 R CB -1.322 28.828 30.300 -0.251 0.000 0.911 380 R HN 0.562 nan 8.270 nan 0.000 0.407 381 H N 1.011 120.041 119.070 -0.065 0.000 2.713 381 H HA -0.204 4.352 4.556 -0.001 0.000 0.311 381 H C -0.572 174.857 175.328 0.170 0.000 1.175 381 H CA 0.755 56.819 56.048 0.026 0.000 1.143 381 H CB -1.968 27.880 29.762 0.143 0.000 1.434 381 H HN 0.505 nan 8.280 nan 0.000 0.418 382 C N -0.450 118.861 119.300 0.017 0.000 2.848 382 C HA 0.982 5.441 4.460 -0.001 0.000 0.317 382 C C 0.569 175.420 174.990 -0.232 0.000 1.260 382 C CA 0.225 59.178 59.018 -0.108 0.000 1.656 382 C CB 2.323 29.662 27.740 -0.669 0.000 2.174 382 C HN 0.854 nan 8.230 nan 0.000 0.479 383 A N 0.306 122.998 122.820 -0.213 0.000 2.540 383 A HA 0.804 5.124 4.320 -0.001 0.000 0.291 383 A C -2.325 175.161 177.584 -0.163 0.000 1.083 383 A CA -0.630 51.276 52.037 -0.218 0.000 0.650 383 A CB 0.323 19.338 19.000 0.024 0.000 1.292 383 A HN 0.829 nan 8.150 nan 0.000 0.435 384 W N -0.239 121.149 121.300 0.146 0.000 2.516 384 W HA 0.616 5.275 4.660 -0.001 0.000 0.343 384 W C 0.005 176.556 176.519 0.054 0.000 1.094 384 W CA -0.624 56.833 57.345 0.187 0.000 1.250 384 W CB 1.302 30.903 29.460 0.235 0.000 1.308 384 W HN 0.459 nan 8.180 nan 0.000 0.588 385 L N 3.319 124.706 121.223 0.273 0.000 2.264 385 L HA 0.443 4.782 4.340 -0.001 0.000 0.287 385 L C -0.584 176.369 176.870 0.138 0.000 1.039 385 L CA 0.091 54.890 54.840 -0.068 0.000 0.829 385 L CB -0.039 41.686 42.059 -0.557 0.000 1.211 385 L HN 0.328 nan 8.230 nan 0.000 0.427 386 S N 5.834 121.636 115.700 0.170 0.000 2.508 386 S HA 0.739 5.209 4.470 -0.001 0.000 0.284 386 S C -0.941 173.831 174.600 0.286 0.000 1.192 386 S CA -0.281 58.059 58.200 0.233 0.000 1.070 386 S CB 1.124 64.399 63.200 0.126 0.000 1.004 386 S HN 0.591 nan 8.310 nan 0.000 0.493 387 Y N -0.779 119.513 120.300 -0.013 0.000 2.638 387 Y HA 0.667 5.216 4.550 -0.001 0.000 0.335 387 Y C -0.252 175.571 175.900 -0.129 0.000 1.155 387 Y CA -1.279 56.804 58.100 -0.028 0.000 1.046 387 Y CB -0.077 38.428 38.460 0.075 0.000 1.303 387 Y HN 0.214 nan 8.280 nan 0.000 0.460 388 V N 0.459 120.234 119.914 -0.232 0.000 2.690 388 V HA 0.384 4.503 4.120 -0.001 0.000 0.240 388 V C 0.572 176.661 176.094 -0.009 0.000 1.078 388 V CA 0.726 62.810 62.300 -0.360 0.000 1.102 388 V CB -0.169 31.162 31.823 -0.821 0.000 0.800 388 V HN 0.739 nan 8.190 nan 0.000 0.479 389 R N -1.032 119.543 120.500 0.125 0.000 2.831 389 R HA 0.690 5.029 4.340 -0.001 0.000 0.266 389 R C -1.083 175.175 176.300 -0.070 0.000 1.051 389 R CA 0.218 56.346 56.100 0.047 0.000 0.943 389 R CB 1.768 32.108 30.300 0.067 0.000 1.228 389 R HN 0.508 nan 8.270 nan 0.000 0.467 390 C N -1.661 117.309 119.300 -0.550 0.000 3.276 390 C HA 0.428 4.888 4.460 -0.001 0.000 0.370 390 C C 1.649 175.965 174.990 -1.124 0.000 1.624 390 C CA -0.637 57.848 59.018 -0.889 0.000 1.179 390 C CB 0.655 28.233 27.740 -0.270 0.000 1.909 390 C HN 1.018 nan 8.230 nan 0.000 0.434 391 H N 0.429 119.108 119.070 -0.651 0.000 2.546 391 H HA 0.162 4.717 4.556 -0.001 0.000 0.277 391 H C -0.286 175.038 175.328 -0.007 0.000 1.004 391 H CA 1.209 57.204 56.048 -0.089 0.000 1.231 391 H CB -0.524 29.267 29.762 0.049 0.000 1.382 391 H HN 0.658 nan 8.280 nan 0.000 0.580 392 D N 2.034 122.039 120.400 -0.658 0.000 2.440 392 D HA 0.065 4.704 4.640 -0.001 0.000 0.258 392 D C 0.336 176.356 176.300 -0.467 0.000 1.092 392 D CA -0.474 53.221 54.000 -0.509 0.000 1.016 392 D CB 1.375 41.812 40.800 -0.604 0.000 1.141 392 D HN 0.378 nan 8.370 nan 0.000 0.552 393 D N -0.245 119.922 120.400 -0.388 0.000 2.357 393 D HA 0.064 4.703 4.640 -0.001 0.000 0.242 393 D C 0.250 176.314 176.300 -0.394 0.000 1.153 393 D CA -0.143 53.642 54.000 -0.358 0.000 0.918 393 D CB 1.103 41.749 40.800 -0.257 0.000 1.181 393 D HN 0.260 nan 8.370 nan 0.000 0.435 394 I N 0.623 120.894 120.570 -0.499 0.000 2.379 394 I HA 0.163 4.332 4.170 -0.001 0.000 0.290 394 I C 1.142 176.815 176.117 -0.741 0.000 1.063 394 I CA -0.321 60.545 61.300 -0.724 0.000 1.351 394 I CB 1.019 38.330 38.000 -1.147 0.000 1.410 394 I HN 0.427 nan 8.210 nan 0.000 0.505 395 G N 5.972 114.460 108.800 -0.520 0.000 2.663 395 G HA2 0.135 4.094 3.960 -0.001 0.000 0.320 395 G HA3 0.135 4.094 3.960 -0.001 0.000 0.320 395 G C 0.289 175.011 174.900 -0.296 0.000 0.937 395 G CA -0.434 44.446 45.100 -0.366 0.000 1.332 395 G HN 0.834 nan 8.290 nan 0.000 0.461 396 W N 1.659 122.934 121.300 -0.042 0.000 2.363 396 W HA -0.091 4.569 4.660 -0.001 0.000 0.296 396 W C 2.135 178.655 176.519 0.000 0.000 1.212 396 W CA 0.475 57.823 57.345 0.005 0.000 1.260 396 W CB -0.098 29.387 29.460 0.041 0.000 1.131 396 W HN 0.547 nan 8.180 nan 0.000 0.530 397 N N 0.546 119.349 118.700 0.172 0.000 2.586 397 N HA -0.162 4.577 4.740 -0.001 0.000 0.191 397 N C 1.589 177.142 175.510 0.072 0.000 1.085 397 N CA 1.284 54.391 53.050 0.095 0.000 0.921 397 N CB -0.248 38.260 38.487 0.034 0.000 0.954 397 N HN 0.128 nan 8.380 nan 0.000 0.448 398 V N -1.933 118.023 119.914 0.069 0.000 3.041 398 V HA 0.004 4.123 4.120 -0.001 0.000 0.260 398 V C 1.255 177.408 176.094 0.099 0.000 1.105 398 V CA 1.188 63.526 62.300 0.063 0.000 1.125 398 V CB -0.444 31.404 31.823 0.043 0.000 0.730 398 V HN 0.261 nan 8.190 nan 0.000 0.479 399 L N -0.078 121.229 121.223 0.141 0.000 2.728 399 L HA 0.225 4.564 4.340 -0.001 0.000 0.235 399 L C 2.200 179.116 176.870 0.077 0.000 1.197 399 L CA 0.170 55.111 54.840 0.168 0.000 0.992 399 L CB -0.232 42.008 42.059 0.302 0.000 1.263 399 L HN 0.355 nan 8.230 nan 0.000 0.484 400 Q N 0.135 119.966 119.800 0.051 0.000 2.002 400 Q HA -0.281 4.059 4.340 -0.001 0.000 0.204 400 Q C 2.101 178.086 176.000 -0.025 0.000 0.988 400 Q CA 2.213 58.009 55.803 -0.012 0.000 0.843 400 Q CB -0.014 28.738 28.738 0.024 0.000 0.908 400 Q HN 0.493 nan 8.270 nan 0.000 0.420 401 H N 0.164 119.212 119.070 -0.037 0.000 2.289 401 H HA -0.164 4.391 4.556 -0.001 0.000 0.296 401 H C 1.664 176.961 175.328 -0.052 0.000 1.091 401 H CA 2.317 58.345 56.048 -0.033 0.000 1.274 401 H CB 0.026 29.788 29.762 0.000 0.000 1.364 401 H HN 0.257 nan 8.280 nan 0.000 0.490 402 E N 0.191 120.343 120.200 -0.079 0.000 2.118 402 E HA -0.139 4.210 4.350 -0.001 0.000 0.195 402 E C 2.330 178.878 176.600 -0.086 0.000 0.992 402 E CA 1.181 57.537 56.400 -0.074 0.000 0.804 402 E CB -0.476 29.307 29.700 0.138 0.000 0.741 402 E HN 0.624 nan 8.360 nan 0.000 0.458 403 A N 0.147 122.707 122.820 -0.434 0.000 2.019 403 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 403 A C 2.193 179.440 177.584 -0.562 0.000 1.164 403 A CA 1.211 52.536 52.037 -1.187 0.000 0.644 403 A CB -0.821 17.531 19.000 -1.079 0.000 0.805 403 A HN 0.417 nan 8.150 nan 0.000 0.449 404 C N -1.432 117.667 119.300 -0.336 0.000 2.432 404 C HA 0.388 4.847 4.460 -0.001 0.000 0.282 404 C C 1.660 176.551 174.990 -0.165 0.000 1.388 404 C CA 0.324 59.208 59.018 -0.223 0.000 1.777 404 C CB -1.844 25.782 27.740 -0.191 0.000 1.882 404 C HN 1.165 nan 8.230 nan 0.000 0.520 405 G N 1.752 110.459 108.800 -0.155 0.000 2.787 405 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.685 405 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.685 405 G C -0.696 174.155 174.900 -0.082 0.000 1.437 405 G CA 0.004 45.064 45.100 -0.067 0.000 0.872 405 G HN 0.724 nan 8.290 nan 0.000 0.566 406 N N -1.385 117.297 118.700 -0.030 0.000 3.479 406 N HA 0.807 5.547 4.740 -0.001 0.000 0.336 406 N C 1.498 177.024 175.510 0.027 0.000 1.623 406 N CA 0.595 53.646 53.050 0.001 0.000 0.759 406 N CB 0.323 38.831 38.487 0.034 0.000 2.016 406 N HN 1.601 nan 8.380 nan 0.000 0.637 407 A N -0.709 122.139 122.820 0.047 0.000 1.978 407 A HA 0.095 4.414 4.320 -0.001 0.000 0.220 407 A C 1.937 179.549 177.584 0.047 0.000 1.170 407 A CA 2.450 54.514 52.037 0.044 0.000 0.636 407 A CB -1.442 17.588 19.000 0.050 0.000 0.810 407 A HN 0.811 nan 8.150 nan 0.000 0.448 408 A N -2.032 120.829 122.820 0.068 0.000 1.956 408 A HA 0.165 4.484 4.320 -0.001 0.000 0.212 408 A C 1.339 178.955 177.584 0.054 0.000 1.188 408 A CA 0.819 52.899 52.037 0.072 0.000 0.675 408 A CB -0.025 19.055 19.000 0.134 0.000 0.845 408 A HN 0.508 nan 8.150 nan 0.000 0.455 409 Q N 0.922 120.752 119.800 0.049 0.000 2.341 409 Q HA 0.344 4.683 4.340 -0.001 0.000 0.268 409 Q C -2.915 173.106 176.000 0.034 0.000 1.013 409 Q CA -2.559 53.264 55.803 0.033 0.000 0.798 409 Q CB 2.286 31.037 28.738 0.023 0.000 1.253 409 Q HN 0.196 nan 8.270 nan 0.000 0.457 410 P HA 0.184 nan 4.420 nan 0.000 0.270 410 P C -2.622 174.723 177.300 0.075 0.000 1.223 410 P CA -1.141 61.979 63.100 0.034 0.000 0.785 410 P CB -0.230 31.484 31.700 0.024 0.000 0.923 411 P HA 0.138 nan 4.420 nan 0.000 0.270 411 P C -0.687 176.685 177.300 0.120 0.000 1.223 411 P CA 0.480 63.593 63.100 0.022 0.000 0.785 411 P CB 0.059 31.726 31.700 -0.055 0.000 0.923 412 F N -2.083 117.825 119.950 -0.071 0.000 2.613 412 F HA 0.672 5.199 4.527 -0.001 0.000 0.314 412 F C -0.453 175.304 175.800 -0.073 0.000 1.075 412 F CA -1.419 56.537 58.000 -0.074 0.000 0.945 412 F CB 1.039 39.988 39.000 -0.084 0.000 1.310 412 F HN 0.093 nan 8.300 nan 0.000 0.467 413 S N 2.455 118.170 115.700 0.025 0.000 2.410 413 S HA 0.410 4.880 4.470 -0.001 0.000 0.304 413 S C 0.828 175.391 174.600 -0.062 0.000 1.095 413 S CA -0.694 57.458 58.200 -0.081 0.000 1.089 413 S CB 0.122 63.293 63.200 -0.048 0.000 0.968 413 S HN 0.799 nan 8.310 nan 0.000 0.480 414 L N 4.516 125.650 121.223 -0.148 0.000 2.083 414 L HA -0.058 4.281 4.340 -0.001 0.000 0.209 414 L C 2.964 179.723 176.870 -0.185 0.000 1.083 414 L CA 0.933 55.695 54.840 -0.131 0.000 0.752 414 L CB -0.403 41.608 42.059 -0.082 0.000 0.899 414 L HN 0.646 nan 8.230 nan 0.000 0.433 415 R N 0.676 121.107 120.500 -0.115 0.000 2.091 415 R HA -0.200 4.140 4.340 -0.001 0.000 0.238 415 R C 1.578 177.822 176.300 -0.093 0.000 1.136 415 R CA 2.165 58.214 56.100 -0.085 0.000 0.959 415 R CB -0.428 29.844 30.300 -0.047 0.000 0.856 415 R HN 0.332 nan 8.270 nan 0.000 0.437 416 D N 0.140 120.490 120.400 -0.084 0.000 2.144 416 D HA -0.098 4.541 4.640 -0.001 0.000 0.200 416 D C 2.033 178.272 176.300 -0.102 0.000 0.978 416 D CA 1.080 55.040 54.000 -0.066 0.000 0.833 416 D CB -0.113 40.658 40.800 -0.049 0.000 0.961 416 D HN 0.078 nan 8.370 nan 0.000 0.470 417 V N 1.394 121.196 119.914 -0.187 0.000 2.261 417 V HA -0.238 3.882 4.120 -0.001 0.000 0.246 417 V C 2.548 178.463 176.094 -0.298 0.000 1.047 417 V CA 1.833 63.960 62.300 -0.289 0.000 1.015 417 V CB -0.924 30.613 31.823 -0.476 0.000 0.642 417 V HN 0.188 nan 8.190 nan 0.000 0.446 418 A N 0.115 122.659 122.820 -0.460 0.000 1.908 418 A HA -0.275 4.045 4.320 -0.001 0.000 0.218 418 A C 2.365 179.954 177.584 0.009 0.000 1.181 418 A CA 2.205 54.089 52.037 -0.256 0.000 0.627 418 A CB -0.536 18.351 19.000 -0.188 0.000 0.818 418 A HN 0.539 nan 8.150 nan 0.000 0.445 419 R N -2.153 118.335 120.500 -0.019 0.000 2.092 419 R HA -0.051 4.288 4.340 -0.001 0.000 0.231 419 R C 1.987 178.284 176.300 -0.005 0.000 1.119 419 R CA 1.384 57.489 56.100 0.008 0.000 0.970 419 R CB -0.473 29.826 30.300 -0.003 0.000 0.864 419 R HN 0.598 nan 8.270 nan 0.000 0.440 420 F N 0.211 120.043 119.950 -0.197 0.000 2.095 420 F HA -0.244 4.283 4.527 -0.001 0.000 0.298 420 F C 1.438 177.027 175.800 -0.350 0.000 1.104 420 F CA 1.513 59.314 58.000 -0.331 0.000 1.232 420 F CB -0.112 38.582 39.000 -0.510 0.000 0.987 420 F HN -0.046 nan 8.300 nan 0.000 0.475 421 Y N -0.274 120.103 120.300 0.129 0.000 2.561 421 Y HA 0.172 4.721 4.550 -0.001 0.000 0.291 421 Y C 2.244 178.152 175.900 0.015 0.000 1.141 421 Y CA 0.525 58.671 58.100 0.077 0.000 1.303 421 Y CB -0.921 37.673 38.460 0.223 0.000 1.015 421 Y HN 0.157 nan 8.280 nan 0.000 0.547 422 A N -0.161 122.726 122.820 0.111 0.000 2.178 422 A HA 0.012 4.331 4.320 -0.001 0.000 0.211 422 A C 1.193 178.777 177.584 0.000 0.000 1.157 422 A CA 0.820 52.907 52.037 0.084 0.000 0.780 422 A CB -0.478 18.575 19.000 0.088 0.000 0.828 422 A HN 0.473 nan 8.150 nan 0.000 0.476 423 N N -2.627 116.010 118.700 -0.105 0.000 2.776 423 N HA -0.216 4.523 4.740 -0.001 0.000 0.249 423 N C 0.421 175.871 175.510 -0.100 0.000 1.111 423 N CA 1.276 54.225 53.050 -0.169 0.000 0.711 423 N CB -1.575 36.846 38.487 -0.110 0.000 1.065 423 N HN 0.572 nan 8.380 nan 0.000 0.556 424 A N -1.118 121.660 122.820 -0.070 0.000 2.307 424 A HA 0.490 4.810 4.320 -0.001 0.000 0.218 424 A C 0.256 177.814 177.584 -0.042 0.000 1.228 424 A CA 0.538 52.555 52.037 -0.033 0.000 0.857 424 A CB 0.510 19.507 19.000 -0.004 0.000 0.897 424 A HN 0.202 nan 8.150 nan 0.000 0.495 425 V N 0.845 120.712 119.914 -0.079 0.000 2.588 425 V HA 0.316 4.435 4.120 -0.001 0.000 0.304 425 V C -2.702 173.343 176.094 -0.083 0.000 1.042 425 V CA -1.972 60.291 62.300 -0.061 0.000 0.877 425 V CB 1.732 33.535 31.823 -0.033 0.000 0.996 425 V HN 0.145 nan 8.190 nan 0.000 0.425 426 P HA 0.258 nan 4.420 nan 0.000 0.264 426 P C 0.988 178.265 177.300 -0.040 0.000 1.183 426 P CA 1.524 64.602 63.100 -0.037 0.000 0.763 426 P CB 0.545 32.238 31.700 -0.012 0.000 0.807 427 G N 1.618 110.390 108.800 -0.046 0.000 2.217 427 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.246 427 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.246 427 G C 0.548 175.392 174.900 -0.094 0.000 0.990 427 G CA 0.143 45.229 45.100 -0.024 0.000 0.627 427 G HN 0.762 nan 8.290 nan 0.000 0.522 428 S N 0.646 116.178 115.700 -0.280 0.000 2.533 428 S HA 0.430 4.899 4.470 -0.001 0.000 0.282 428 S C 1.409 175.734 174.600 -0.458 0.000 1.304 428 S CA 0.378 58.148 58.200 -0.715 0.000 1.063 428 S CB 0.172 62.707 63.200 -1.109 0.000 0.881 428 S HN 0.949 nan 8.310 nan 0.000 0.493 429 Y N 3.007 123.172 120.300 -0.224 0.000 2.490 429 Y HA 0.560 5.110 4.550 -0.001 0.000 0.281 429 Y C 0.650 176.518 175.900 -0.055 0.000 1.174 429 Y CA -0.484 57.581 58.100 -0.058 0.000 1.295 429 Y CB -1.041 37.456 38.460 0.062 0.000 1.062 429 Y HN 0.590 nan 8.280 nan 0.000 0.522 430 A N 1.791 124.540 122.820 -0.118 0.000 2.302 430 A HA 0.725 5.044 4.320 -0.001 0.000 0.285 430 A C 0.325 177.916 177.584 0.013 0.000 1.105 430 A CA -0.874 51.209 52.037 0.076 0.000 0.816 430 A CB 0.554 19.587 19.000 0.055 0.000 1.067 430 A HN 0.339 nan 8.150 nan 0.000 0.489 431 R N 1.452 122.012 120.500 0.101 0.000 2.653 431 R HA 0.313 4.652 4.340 -0.001 0.000 0.269 431 R C 0.090 176.451 176.300 0.101 0.000 1.603 431 R CA 0.110 56.256 56.100 0.077 0.000 1.671 431 R CB 0.807 31.158 30.300 0.085 0.000 1.300 431 R HN 0.883 nan 8.270 nan 0.000 0.668 432 G N -0.057 108.807 108.800 0.108 0.000 2.938 432 G HA2 0.651 4.610 3.960 -0.001 0.000 0.258 432 G HA3 0.651 4.610 3.960 -0.001 0.000 0.258 432 G C -0.777 174.199 174.900 0.125 0.000 1.356 432 G CA -0.275 44.895 45.100 0.117 0.000 1.052 432 G HN 0.152 nan 8.290 nan 0.000 0.550 433 E N -0.933 119.353 120.200 0.143 0.000 2.383 433 E HA 0.424 4.774 4.350 -0.001 0.000 0.275 433 E C -0.929 175.784 176.600 0.188 0.000 0.918 433 E CA -0.641 55.853 56.400 0.156 0.000 0.764 433 E CB 2.296 32.098 29.700 0.171 0.000 1.252 433 E HN 0.324 nan 8.360 nan 0.000 0.449 434 S N 1.071 116.878 115.700 0.179 0.000 2.576 434 S HA 0.313 4.783 4.470 -0.001 0.000 0.276 434 S C -0.927 173.822 174.600 0.248 0.000 1.339 434 S CA -0.186 58.132 58.200 0.196 0.000 1.039 434 S CB 0.209 63.482 63.200 0.121 0.000 0.902 434 S HN 0.331 nan 8.310 nan 0.000 0.516 435 F N 4.045 124.036 119.950 0.069 0.000 2.507 435 F HA 0.399 4.926 4.527 -0.001 0.000 0.328 435 F C -0.104 175.653 175.800 -0.072 0.000 1.136 435 F CA -0.242 57.778 58.000 0.033 0.000 0.930 435 F CB 0.481 39.539 39.000 0.096 0.000 1.166 435 F HN 0.566 nan 8.300 nan 0.000 0.436 442 V N 1.155 121.140 119.914 0.118 0.000 2.547 442 V HA 0.662 4.782 4.120 -0.001 0.000 0.299 442 V C 0.537 176.782 176.094 0.251 0.000 1.040 442 V CA -0.376 62.020 62.300 0.159 0.000 0.913 442 V CB 1.622 33.511 31.823 0.109 0.000 0.992 442 V HN 1.021 nan 8.190 nan 0.000 0.449 443 H N 2.323 121.513 119.070 0.200 0.000 2.725 443 H HA 0.372 4.927 4.556 -0.001 0.000 0.129 443 H C 0.211 175.682 175.328 0.239 0.000 1.173 443 H CA 0.870 57.023 56.048 0.176 0.000 1.137 443 H CB 1.476 31.285 29.762 0.078 0.000 0.808 443 H HN 0.759 nan 8.280 nan 0.000 0.250 444 G N 0.279 109.333 108.800 0.424 0.000 2.684 444 G HA2 0.490 4.449 3.960 -0.001 0.000 0.290 444 G HA3 0.490 4.449 3.960 -0.001 0.000 0.290 444 G C -1.451 173.659 174.900 0.350 0.000 1.425 444 G CA -0.259 45.011 45.100 0.283 0.000 0.822 444 G HN 0.232 nan 8.290 nan 0.000 0.482 445 T N 1.304 115.952 114.554 0.158 0.000 2.916 445 T HA 0.537 4.886 4.350 -0.001 0.000 0.298 445 T C -0.629 174.061 174.700 -0.016 0.000 1.031 445 T CA -0.746 61.464 62.100 0.183 0.000 0.993 445 T CB 1.633 70.700 68.868 0.333 0.000 1.045 445 T HN 0.448 nan 8.240 nan 0.000 0.454 446 N N 0.794 119.526 118.700 0.053 0.000 2.483 446 N HA 0.852 5.591 4.740 -0.001 0.000 0.285 446 N C 0.152 175.714 175.510 0.087 0.000 1.210 446 N CA -0.216 52.876 53.050 0.070 0.000 0.931 446 N CB 1.800 40.342 38.487 0.092 0.000 1.220 446 N HN 1.113 nan 8.380 nan 0.000 0.542 447 G N -0.206 108.735 108.800 0.234 0.000 2.348 447 G HA2 -0.006 3.953 3.960 -0.001 0.000 0.606 447 G HA3 -0.006 3.953 3.960 -0.001 0.000 0.606 447 G C -0.923 174.001 174.900 0.040 0.000 1.466 447 G CA -0.879 44.295 45.100 0.123 0.000 0.950 447 G HN 0.226 nan 8.290 nan 0.000 0.657 448 M N 1.279 120.962 119.600 0.138 0.000 2.226 448 M HA 0.450 4.929 4.480 -0.001 0.000 0.324 448 M C 1.969 178.342 176.300 0.122 0.000 1.112 448 M CA 0.408 55.811 55.300 0.172 0.000 1.176 448 M CB 0.793 33.516 32.600 0.205 0.000 1.430 448 M HN 1.253 nan 8.290 nan 0.000 0.462 449 A N 2.228 125.184 122.820 0.226 0.000 1.865 449 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 449 A C 2.123 179.927 177.584 0.367 0.000 1.191 449 A CA 2.410 54.672 52.037 0.376 0.000 0.623 449 A CB -1.031 18.276 19.000 0.511 0.000 0.826 449 A HN 0.930 nan 8.150 nan 0.000 0.444 450 A N -0.406 122.579 122.820 0.276 0.000 1.978 450 A HA 0.114 4.433 4.320 -0.001 0.000 0.220 450 A C 2.440 180.144 177.584 0.200 0.000 1.170 450 A CA 2.219 54.387 52.037 0.217 0.000 0.636 450 A CB -0.881 18.218 19.000 0.165 0.000 0.810 450 A HN 1.121 nan 8.150 nan 0.000 0.448 451 A N -0.660 122.269 122.820 0.181 0.000 1.968 451 A HA 0.141 4.461 4.320 -0.001 0.000 0.217 451 A C 2.075 179.778 177.584 0.200 0.000 1.169 451 A CA 1.237 53.371 52.037 0.163 0.000 0.638 451 A CB -0.390 18.691 19.000 0.135 0.000 0.812 451 A HN 0.463 nan 8.150 nan 0.000 0.446 452 L N -1.199 120.137 121.223 0.188 0.000 2.209 452 L HA 0.019 4.358 4.340 -0.001 0.000 0.207 452 L C 2.740 179.994 176.870 0.641 0.000 1.094 452 L CA 0.769 55.763 54.840 0.256 0.000 0.790 452 L CB -0.302 41.514 42.059 -0.404 0.000 0.932 452 L HN 0.371 nan 8.230 nan 0.000 0.447 453 A N -0.357 122.804 122.820 0.569 0.000 2.206 453 A HA 0.257 4.576 4.320 -0.001 0.000 0.211 453 A C 1.806 179.448 177.584 0.096 0.000 1.158 453 A CA 0.978 53.284 52.037 0.449 0.000 0.761 453 A CB -0.359 18.816 19.000 0.291 0.000 0.801 453 A HN 0.525 nan 8.150 nan 0.000 0.473 454 G N -1.004 107.932 108.800 0.227 0.000 2.201 454 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.212 454 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.212 454 G C 0.925 175.866 174.900 0.069 0.000 0.994 454 G CA 0.275 45.443 45.100 0.113 0.000 0.644 454 G HN 0.354 nan 8.290 nan 0.000 0.508 455 I N 0.548 121.163 120.570 0.076 0.000 2.179 455 I HA -0.200 3.969 4.170 -0.001 0.000 0.242 455 I C 2.690 178.856 176.117 0.081 0.000 1.088 455 I CA 2.080 63.420 61.300 0.067 0.000 1.357 455 I CB -0.298 37.749 38.000 0.079 0.000 1.051 455 I HN 0.406 nan 8.210 nan 0.000 0.409 456 Q N 0.981 120.843 119.800 0.103 0.000 2.084 456 Q HA -0.218 4.122 4.340 -0.001 0.000 0.202 456 Q C 2.338 178.389 176.000 0.085 0.000 0.978 456 Q CA 1.918 57.778 55.803 0.094 0.000 0.844 456 Q CB -0.060 28.741 28.738 0.105 0.000 0.898 456 Q HN 0.547 nan 8.270 nan 0.000 0.426 457 A N 0.555 123.434 122.820 0.098 0.000 1.933 457 A HA -0.109 4.211 4.320 -0.001 0.000 0.218 457 A C 2.216 179.844 177.584 0.074 0.000 1.175 457 A CA 1.571 53.661 52.037 0.088 0.000 0.628 457 A CB -0.814 18.254 19.000 0.113 0.000 0.814 457 A HN 0.535 nan 8.150 nan 0.000 0.444 458 A N -0.547 122.315 122.820 0.070 0.000 1.858 458 A HA -0.215 4.104 4.320 -0.001 0.000 0.216 458 A C 2.140 179.753 177.584 0.049 0.000 1.190 458 A CA 1.637 53.707 52.037 0.055 0.000 0.617 458 A CB -0.678 18.346 19.000 0.041 0.000 0.827 458 A HN 0.627 nan 8.150 nan 0.000 0.443 459 Q N -0.722 119.108 119.800 0.050 0.000 2.096 459 Q HA -0.241 4.099 4.340 -0.001 0.000 0.204 459 Q C 2.031 178.057 176.000 0.044 0.000 0.982 459 Q CA 1.677 57.507 55.803 0.045 0.000 0.850 459 Q CB -0.249 28.517 28.738 0.048 0.000 0.901 459 Q HN 0.773 nan 8.270 nan 0.000 0.422 460 E N -0.016 120.213 120.200 0.048 0.000 2.171 460 E HA -0.187 4.163 4.350 -0.001 0.000 0.197 460 E C 1.146 177.770 176.600 0.040 0.000 0.997 460 E CA 1.130 57.557 56.400 0.045 0.000 0.810 460 E CB 0.027 29.756 29.700 0.049 0.000 0.738 460 E HN 0.330 nan 8.360 nan 0.000 0.467 461 A N -0.483 122.362 122.820 0.041 0.000 2.465 461 A HA 0.370 4.689 4.320 -0.001 0.000 0.255 461 A C 1.275 178.880 177.584 0.035 0.000 1.274 461 A CA 0.469 52.529 52.037 0.038 0.000 0.920 461 A CB 0.123 19.148 19.000 0.041 0.000 1.033 461 A HN 0.257 nan 8.150 nan 0.000 0.516 462 G N 0.583 109.404 108.800 0.034 0.000 2.379 462 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.297 462 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.297 462 G C -0.115 174.804 174.900 0.031 0.000 1.004 462 G CA 0.618 45.737 45.100 0.031 0.000 0.921 462 G HN 0.582 nan 8.290 nan 0.000 0.511 463 D N -0.081 120.340 120.400 0.035 0.000 2.467 463 D HA 0.626 5.266 4.640 -0.001 0.000 0.220 463 D C 1.376 177.696 176.300 0.033 0.000 1.103 463 D CA 0.173 54.194 54.000 0.035 0.000 0.886 463 D CB 0.558 41.383 40.800 0.041 0.000 1.025 463 D HN 0.263 nan 8.370 nan 0.000 0.514 464 A N 3.626 126.464 122.820 0.030 0.000 1.972 464 A HA -0.052 4.267 4.320 -0.001 0.000 0.219 464 A C 2.083 179.684 177.584 0.028 0.000 1.169 464 A CA 1.753 53.806 52.037 0.028 0.000 0.635 464 A CB -0.330 18.685 19.000 0.025 0.000 0.810 464 A HN 0.597 nan 8.150 nan 0.000 0.446 465 A N -0.170 122.668 122.820 0.031 0.000 1.898 465 A HA 0.202 4.522 4.320 -0.001 0.000 0.216 465 A C 2.493 180.097 177.584 0.034 0.000 1.181 465 A CA 1.923 53.980 52.037 0.033 0.000 0.620 465 A CB -0.955 18.066 19.000 0.037 0.000 0.819 465 A HN 1.024 nan 8.150 nan 0.000 0.442 466 A N -0.681 122.161 122.820 0.036 0.000 1.930 466 A HA 0.016 4.335 4.320 -0.001 0.000 0.217 466 A C 2.092 179.681 177.584 0.008 0.000 1.175 466 A CA 1.620 53.675 52.037 0.031 0.000 0.627 466 A CB -0.560 18.468 19.000 0.047 0.000 0.815 466 A HN 0.575 nan 8.150 nan 0.000 0.443 467 L N -0.151 121.082 121.223 0.016 0.000 2.046 467 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 467 L C 2.696 179.567 176.870 0.002 0.000 1.077 467 L CA 2.162 57.009 54.840 0.011 0.000 0.747 467 L CB -0.821 41.252 42.059 0.023 0.000 0.896 467 L HN 0.353 nan 8.230 nan 0.000 0.432 468 A N -1.286 121.540 122.820 0.010 0.000 1.877 468 A HA -0.144 4.175 4.320 -0.001 0.000 0.216 468 A C 2.249 179.833 177.584 -0.000 0.000 1.186 468 A CA 1.960 54.003 52.037 0.009 0.000 0.620 468 A CB -1.109 17.902 19.000 0.019 0.000 0.822 468 A HN 0.288 nan 8.150 nan 0.000 0.443 469 V N 0.011 119.927 119.914 0.004 0.000 2.332 469 V HA -0.282 3.837 4.120 -0.001 0.000 0.248 469 V C 3.033 179.062 176.094 -0.108 0.000 1.055 469 V CA 2.025 64.329 62.300 0.007 0.000 1.038 469 V CB -1.341 30.512 31.823 0.050 0.000 0.651 469 V HN 0.623 nan 8.190 nan 0.000 0.450 470 A N -0.268 122.469 122.820 -0.138 0.000 1.902 470 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 470 A C 2.414 179.928 177.584 -0.117 0.000 1.181 470 A CA 1.965 53.883 52.037 -0.198 0.000 0.623 470 A CB -0.725 18.198 19.000 -0.127 0.000 0.818 470 A HN 0.321 nan 8.150 nan 0.000 0.443 471 V N 0.829 120.711 119.914 -0.052 0.000 2.324 471 V HA -0.299 3.821 4.120 -0.001 0.000 0.250 471 V C 2.212 178.283 176.094 -0.039 0.000 1.060 471 V CA 2.440 64.728 62.300 -0.021 0.000 1.042 471 V CB -0.835 30.986 31.823 -0.002 0.000 0.650 471 V HN 0.521 nan 8.190 nan 0.000 0.450 472 D N -0.316 120.054 120.400 -0.051 0.000 2.123 472 D HA -0.153 4.487 4.640 -0.001 0.000 0.196 472 D C 2.407 178.643 176.300 -0.107 0.000 0.992 472 D CA 1.231 55.206 54.000 -0.042 0.000 0.833 472 D CB -0.277 40.536 40.800 0.021 0.000 0.954 472 D HN 0.429 nan 8.370 nan 0.000 0.455 473 R N -0.031 120.322 120.500 -0.246 0.000 2.081 473 R HA -0.104 4.235 4.340 -0.001 0.000 0.235 473 R C 2.354 178.536 176.300 -0.197 0.000 1.131 473 R CA 0.537 56.420 56.100 -0.361 0.000 0.960 473 R CB -0.563 29.407 30.300 -0.550 0.000 0.856 473 R HN 0.161 nan 8.270 nan 0.000 0.436 474 L N 0.885 122.057 121.223 -0.086 0.000 2.017 474 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 474 L C 2.178 179.095 176.870 0.078 0.000 1.073 474 L CA 1.535 56.394 54.840 0.031 0.000 0.745 474 L CB -0.292 41.833 42.059 0.109 0.000 0.894 474 L HN -0.102 nan 8.230 nan 0.000 0.432 475 V N -0.569 119.367 119.914 0.036 0.000 2.407 475 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 475 V C 2.467 178.592 176.094 0.051 0.000 1.055 475 V CA 1.582 63.913 62.300 0.051 0.000 1.049 475 V CB -0.701 31.119 31.823 -0.006 0.000 0.662 475 V HN 0.503 nan 8.190 nan 0.000 0.455 476 L N -0.295 120.917 121.223 -0.019 0.000 1.990 476 L HA -0.194 4.146 4.340 -0.001 0.000 0.213 476 L C 2.235 179.107 176.870 0.003 0.000 1.072 476 L CA 2.057 56.879 54.840 -0.030 0.000 0.755 476 L CB -0.606 41.330 42.059 -0.206 0.000 0.889 476 L HN 0.165 nan 8.230 nan 0.000 0.432 477 L N -1.583 119.571 121.223 -0.115 0.000 2.042 477 L HA -0.262 4.078 4.340 -0.001 0.000 0.210 477 L C 2.348 179.136 176.870 -0.137 0.000 1.076 477 L CA 1.845 56.565 54.840 -0.201 0.000 0.749 477 L CB -0.984 40.773 42.059 -0.502 0.000 0.893 477 L HN 0.277 nan 8.230 nan 0.000 0.432 478 Y N -0.977 119.302 120.300 -0.035 0.000 2.293 478 Y HA -0.161 4.388 4.550 -0.001 0.000 0.291 478 Y C 2.407 178.361 175.900 0.090 0.000 1.137 478 Y CA 0.982 59.097 58.100 0.024 0.000 1.202 478 Y CB -0.591 37.881 38.460 0.020 0.000 0.990 478 Y HN 0.156 nan 8.280 nan 0.000 0.537 479 A N 0.048 123.022 122.820 0.258 0.000 1.978 479 A HA -0.177 4.142 4.320 -0.001 0.000 0.220 479 A C 2.217 180.085 177.584 0.474 0.000 1.170 479 A CA 1.719 53.950 52.037 0.324 0.000 0.636 479 A CB -0.939 18.227 19.000 0.278 0.000 0.810 479 A HN 0.490 nan 8.150 nan 0.000 0.448 480 I N -0.492 120.282 120.570 0.339 0.000 2.202 480 I HA -0.248 3.922 4.170 -0.001 0.000 0.242 480 I C 3.000 179.225 176.117 0.180 0.000 1.091 480 I CA 1.055 62.512 61.300 0.263 0.000 1.368 480 I CB -0.491 37.568 38.000 0.098 0.000 1.058 480 I HN 0.357 nan 8.210 nan 0.000 0.410 481 A N 1.106 123.988 122.820 0.103 0.000 1.908 481 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 481 A C 2.268 179.950 177.584 0.163 0.000 1.181 481 A CA 1.450 53.536 52.037 0.082 0.000 0.627 481 A CB -0.884 18.134 19.000 0.029 0.000 0.818 481 A HN 0.404 nan 8.150 nan 0.000 0.445 482 L N -1.038 120.335 121.223 0.250 0.000 2.275 482 L HA -0.112 4.227 4.340 -0.001 0.000 0.215 482 L C 2.733 179.773 176.870 0.284 0.000 1.119 482 L CA 0.819 55.830 54.840 0.284 0.000 0.790 482 L CB -0.301 41.963 42.059 0.341 0.000 0.919 482 L HN 0.421 nan 8.230 nan 0.000 0.443 483 A N -1.263 121.734 122.820 0.294 0.000 2.218 483 A HA 0.124 4.443 4.320 -0.001 0.000 0.209 483 A C 1.222 178.788 177.584 -0.029 0.000 1.168 483 A CA 0.208 52.280 52.037 0.058 0.000 0.804 483 A CB -0.097 19.015 19.000 0.187 0.000 0.834 483 A HN 0.111 nan 8.150 nan 0.000 0.482 484 M N 0.948 120.579 119.600 0.052 0.000 2.241 484 M HA 0.230 4.709 4.480 -0.001 0.000 0.335 484 M C -2.477 173.852 176.300 0.049 0.000 1.122 484 M CA -2.487 52.849 55.300 0.061 0.000 1.164 484 M CB -0.019 32.637 32.600 0.092 0.000 1.459 484 M HN -0.013 nan 8.290 nan 0.000 0.461 485 P HA 0.366 nan 4.420 nan 0.000 0.284 485 P C 0.080 177.433 177.300 0.089 0.000 1.343 485 P CA 0.354 63.488 63.100 0.057 0.000 0.826 485 P CB 0.489 32.235 31.700 0.076 0.000 0.956 486 G N 2.331 111.129 108.800 -0.004 0.000 2.225 486 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.203 486 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.203 486 G C -1.568 173.300 174.900 -0.053 0.000 1.335 486 G CA -0.572 44.525 45.100 -0.005 0.000 1.183 486 G HN 0.323 nan 8.290 nan 0.000 0.488 487 V N 3.309 123.177 119.914 -0.077 0.000 2.347 487 V HA 0.572 4.691 4.120 -0.001 0.000 0.280 487 V C -1.983 174.045 176.094 -0.110 0.000 1.021 487 V CA -1.110 61.074 62.300 -0.192 0.000 0.847 487 V CB 1.752 33.267 31.823 -0.512 0.000 0.990 487 V HN 0.578 nan 8.190 nan 0.000 0.444 488 P HA 0.278 nan 4.420 nan 0.000 0.291 488 P C -0.699 176.658 177.300 0.094 0.000 1.340 488 P CA -0.250 62.894 63.100 0.073 0.000 0.799 488 P CB 1.309 33.080 31.700 0.119 0.000 0.917 489 L N 5.861 127.156 121.223 0.121 0.000 2.255 489 L HA 0.387 4.726 4.340 -0.001 0.000 0.289 489 L C 0.319 177.379 176.870 0.318 0.000 1.046 489 L CA -0.938 54.006 54.840 0.173 0.000 0.816 489 L CB 0.454 42.573 42.059 0.100 0.000 1.197 489 L HN 0.291 nan 8.230 nan 0.000 0.427 490 I N 4.622 125.391 120.570 0.332 0.000 2.441 490 I HA 0.038 4.207 4.170 -0.001 0.000 0.287 490 I C -0.506 175.746 176.117 0.224 0.000 1.049 490 I CA -0.329 61.202 61.300 0.384 0.000 1.381 490 I CB 0.816 38.990 38.000 0.291 0.000 1.409 490 I HN 0.441 nan 8.210 nan 0.000 0.523 491 Y N 7.710 128.104 120.300 0.156 0.000 2.327 491 Y HA 0.236 4.785 4.550 -0.001 0.000 0.336 491 Y C 0.436 176.269 175.900 -0.112 0.000 1.035 491 Y CA -1.240 56.865 58.100 0.009 0.000 1.165 491 Y CB 0.880 39.430 38.460 0.149 0.000 1.181 491 Y HN 0.508 nan 8.280 nan 0.000 0.494 492 M N 6.599 125.777 119.600 -0.704 0.000 2.301 492 M HA -0.001 4.478 4.480 -0.001 0.000 0.404 492 M C 1.104 177.244 176.300 -0.266 0.000 1.497 492 M CA 2.384 57.342 55.300 -0.569 0.000 0.867 492 M CB -0.557 31.777 32.600 -0.442 0.000 2.037 492 M HN 1.112 nan 8.290 nan 0.000 0.496 493 G N 3.811 112.625 108.800 0.024 0.000 2.308 493 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.221 493 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.221 493 G C 0.433 175.386 174.900 0.088 0.000 1.032 493 G CA 0.277 45.400 45.100 0.038 0.000 0.623 493 G HN 0.705 nan 8.290 nan 0.000 0.506 494 D N 1.545 122.006 120.400 0.102 0.000 2.221 494 D HA -0.046 4.594 4.640 -0.001 0.000 0.204 494 D C 2.412 178.736 176.300 0.040 0.000 0.982 494 D CA 1.431 55.513 54.000 0.137 0.000 0.857 494 D CB -0.111 40.847 40.800 0.263 0.000 0.934 494 D HN 0.750 nan 8.370 nan 0.000 0.475 495 E N 0.440 120.674 120.200 0.057 0.000 2.516 495 E HA -0.117 4.232 4.350 -0.001 0.000 0.199 495 E C 1.330 178.028 176.600 0.164 0.000 1.069 495 E CA 0.412 56.833 56.400 0.035 0.000 0.876 495 E CB -0.205 29.539 29.700 0.074 0.000 0.843 495 E HN 0.349 nan 8.360 nan 0.000 0.530 496 L N -0.319 120.994 121.223 0.149 0.000 3.135 496 L HA 0.410 4.749 4.340 -0.001 0.000 0.279 496 L C 0.702 177.626 176.870 0.089 0.000 1.200 496 L CA 0.074 54.992 54.840 0.130 0.000 1.016 496 L CB 0.440 42.560 42.059 0.102 0.000 1.391 496 L HN 0.088 nan 8.230 nan 0.000 0.588 497 A N 0.304 123.180 122.820 0.093 0.000 2.872 497 A HA -0.253 4.066 4.320 -0.001 0.000 0.273 497 A C 0.648 178.289 177.584 0.095 0.000 1.442 497 A CA 0.726 52.822 52.037 0.098 0.000 0.801 497 A CB -2.116 16.933 19.000 0.083 0.000 1.031 497 A HN 0.417 nan 8.150 nan 0.000 0.582 498 M N -0.110 119.542 119.600 0.087 0.000 2.251 498 M HA 0.276 4.755 4.480 -0.001 0.000 0.343 498 M C 1.036 177.398 176.300 0.103 0.000 1.245 498 M CA 0.971 56.315 55.300 0.074 0.000 1.061 498 M CB 0.406 33.035 32.600 0.047 0.000 1.723 498 M HN 0.816 nan 8.290 nan 0.000 0.449 499 V N 0.992 120.964 119.914 0.096 0.000 3.438 499 V HA 0.514 4.633 4.120 -0.001 0.000 0.298 499 V C 0.390 176.558 176.094 0.122 0.000 1.148 499 V CA -1.309 61.059 62.300 0.113 0.000 0.994 499 V CB 0.611 32.494 31.823 0.099 0.000 1.236 499 V HN 0.774 nan 8.190 nan 0.000 0.455 500 N N 1.235 120.014 118.700 0.131 0.000 2.267 500 N HA 0.136 4.876 4.740 -0.001 0.000 0.226 500 N C -0.594 174.999 175.510 0.138 0.000 1.314 500 N CA 0.395 53.533 53.050 0.147 0.000 0.887 500 N CB -0.100 38.476 38.487 0.149 0.000 1.120 500 N HN 0.985 nan 8.380 nan 0.000 0.440 501 D N -0.558 119.941 120.400 0.166 0.000 2.378 501 D HA 0.359 4.999 4.640 -0.001 0.000 0.265 501 D C -2.181 174.265 176.300 0.244 0.000 1.229 501 D CA -1.845 52.256 54.000 0.168 0.000 0.914 501 D CB 0.948 41.844 40.800 0.160 0.000 1.140 501 D HN 0.109 nan 8.370 nan 0.000 0.516 502 P HA 0.060 nan 4.420 nan 0.000 0.228 502 P C 1.500 178.825 177.300 0.041 0.000 1.151 502 P CA 0.510 63.688 63.100 0.132 0.000 0.770 502 P CB 0.358 32.095 31.700 0.062 0.000 0.786 503 G N 0.761 109.616 108.800 0.091 0.000 2.505 503 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.220 503 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.220 503 G C 1.415 176.321 174.900 0.009 0.000 1.145 503 G CA 1.187 46.310 45.100 0.039 0.000 0.761 503 G HN 0.363 nan 8.290 nan 0.000 0.571 504 Y N 0.937 121.239 120.300 0.004 0.000 2.256 504 Y HA -0.060 4.489 4.550 -0.001 0.000 0.288 504 Y C 2.701 178.609 175.900 0.012 0.000 1.155 504 Y CA 1.268 59.353 58.100 -0.025 0.000 1.203 504 Y CB -0.608 37.881 38.460 0.048 0.000 0.980 504 Y HN 0.118 nan 8.280 nan 0.000 0.530 505 R N 0.489 120.445 120.500 -0.907 0.000 2.117 505 R HA -0.153 4.186 4.340 -0.001 0.000 0.243 505 R C 0.604 176.753 176.300 -0.252 0.000 1.143 505 R CA 1.603 57.301 56.100 -0.670 0.000 0.968 505 R CB -0.374 29.609 30.300 -0.528 0.000 0.863 505 R HN 0.443 nan 8.270 nan 0.000 0.444 506 D N 0.594 120.896 120.400 -0.164 0.000 2.538 506 D HA 0.023 4.663 4.640 -0.001 0.000 0.234 506 D C -0.586 175.686 176.300 -0.046 0.000 1.191 506 D CA 0.465 54.417 54.000 -0.080 0.000 0.828 506 D CB 0.128 40.894 40.800 -0.057 0.000 0.981 506 D HN 0.086 nan 8.370 nan 0.000 0.490 507 D N 0.620 120.999 120.400 -0.034 0.000 2.473 507 D HA 0.109 4.748 4.640 -0.001 0.000 0.253 507 D C -1.776 174.557 176.300 0.056 0.000 1.233 507 D CA -1.941 52.065 54.000 0.009 0.000 0.908 507 D CB 2.595 43.390 40.800 -0.007 0.000 1.170 507 D HN -0.132 nan 8.370 nan 0.000 0.558 508 P HA -0.166 nan 4.420 nan 0.000 0.220 508 P C 0.961 178.268 177.300 0.012 0.000 1.144 508 P CA 0.937 64.037 63.100 0.000 0.000 0.800 508 P CB 0.360 32.013 31.700 -0.078 0.000 0.772 509 H N -0.684 118.432 119.070 0.078 0.000 2.551 509 H HA 0.210 4.765 4.556 -0.001 0.000 0.266 509 H C 1.774 177.233 175.328 0.218 0.000 0.964 509 H CA 0.768 56.881 56.048 0.109 0.000 1.180 509 H CB 0.595 30.352 29.762 -0.009 0.000 1.408 509 H HN 0.224 nan 8.280 nan 0.000 0.563 510 R N -0.078 120.562 120.500 0.234 0.000 2.576 510 R HA 0.025 4.364 4.340 -0.001 0.000 0.237 510 R C 2.002 178.471 176.300 0.282 0.000 0.917 510 R CA 0.144 56.286 56.100 0.070 0.000 1.002 510 R CB 0.315 30.371 30.300 -0.406 0.000 1.428 510 R HN 0.267 nan 8.270 nan 0.000 0.603 511 Q N 1.785 121.773 119.800 0.312 0.000 2.344 511 Q HA -0.226 4.113 4.340 -0.001 0.000 0.212 511 Q C 1.296 177.519 176.000 0.372 0.000 0.991 511 Q CA 2.032 58.001 55.803 0.276 0.000 0.897 511 Q CB -0.548 28.260 28.738 0.117 0.000 0.915 511 Q HN 0.588 nan 8.270 nan 0.000 0.438 512 H N -0.235 119.018 119.070 0.305 0.000 2.551 512 H HA 0.202 4.757 4.556 -0.001 0.000 0.266 512 H C -0.150 175.367 175.328 0.314 0.000 0.964 512 H CA 0.666 56.874 56.048 0.267 0.000 1.180 512 H CB 0.255 30.145 29.762 0.214 0.000 1.408 512 H HN 0.248 nan 8.280 nan 0.000 0.563 513 E N 1.492 121.655 120.200 -0.062 0.000 2.121 513 E HA 0.297 4.646 4.350 -0.001 0.000 0.255 513 E C 1.248 177.835 176.600 -0.021 0.000 0.906 513 E CA -0.339 56.069 56.400 0.014 0.000 0.745 513 E CB 0.677 30.355 29.700 -0.038 0.000 1.155 513 E HN 0.357 nan 8.360 nan 0.000 0.424 514 G N 4.115 112.966 108.800 0.085 0.000 2.485 514 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.221 514 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.221 514 G C 1.291 175.871 174.900 -0.533 0.000 1.115 514 G CA 0.441 45.490 45.100 -0.084 0.000 0.751 514 G HN 0.521 nan 8.290 nan 0.000 0.567 515 R N -0.871 119.220 120.500 -0.683 0.000 2.249 515 R HA -0.097 4.242 4.340 -0.001 0.000 0.230 515 R C 2.074 177.707 176.300 -1.112 0.000 1.121 515 R CA 0.894 56.427 56.100 -0.946 0.000 0.997 515 R CB -0.287 29.507 30.300 -0.843 0.000 0.867 515 R HN 0.599 nan 8.270 nan 0.000 0.465 516 W N 0.282 121.097 121.300 -0.809 0.000 2.525 516 W HA -0.112 4.547 4.660 -0.001 0.000 0.259 516 W C 1.824 177.986 176.519 -0.594 0.000 1.253 516 W CA -0.093 56.857 57.345 -0.657 0.000 1.262 516 W CB -0.183 28.935 29.460 -0.570 0.000 1.122 516 W HN 0.107 nan 8.180 nan 0.000 0.607 517 L N 0.933 121.806 121.223 -0.584 0.000 2.129 517 L HA -0.244 4.095 4.340 -0.001 0.000 0.212 517 L C 2.013 178.877 176.870 -0.009 0.000 1.087 517 L CA 2.028 56.789 54.840 -0.132 0.000 0.757 517 L CB -0.834 41.207 42.059 -0.031 0.000 0.896 517 L HN 0.298 nan 8.230 nan 0.000 0.434 518 H N -2.183 116.908 119.070 0.036 0.000 2.467 518 H HA 0.397 4.952 4.556 -0.001 0.000 0.275 518 H C -0.030 175.449 175.328 0.252 0.000 1.131 518 H CA -0.418 55.711 56.048 0.136 0.000 0.989 518 H CB -0.125 29.699 29.762 0.104 0.000 1.696 518 H HN 0.313 nan 8.280 nan 0.000 0.574 519 R N 2.130 122.738 120.500 0.180 0.000 2.886 519 R HA 0.250 4.589 4.340 -0.001 0.000 0.306 519 R C -2.757 173.687 176.300 0.239 0.000 1.300 519 R CA -1.425 54.857 56.100 0.303 0.000 1.441 519 R CB 1.056 31.492 30.300 0.228 0.000 1.328 519 R HN 0.334 nan 8.270 nan 0.000 0.629 520 P HA 0.154 nan 4.420 nan 0.000 0.276 520 P C -0.329 177.025 177.300 0.089 0.000 1.252 520 P CA -0.257 62.914 63.100 0.118 0.000 0.802 520 P CB 1.058 32.814 31.700 0.093 0.000 1.035 521 A N 2.105 124.959 122.820 0.057 0.000 2.351 521 A HA 0.391 4.710 4.320 -0.001 0.000 0.257 521 A C 0.530 178.105 177.584 -0.015 0.000 1.087 521 A CA -0.404 51.660 52.037 0.044 0.000 0.798 521 A CB -0.294 18.726 19.000 0.032 0.000 1.033 521 A HN 0.633 nan 8.150 nan 0.000 0.488 522 M N 1.622 121.184 119.600 -0.065 0.000 2.252 522 M HA 0.075 4.555 4.480 -0.001 0.000 0.348 522 M C -0.168 175.897 176.300 -0.392 0.000 1.334 522 M CA 0.148 55.261 55.300 -0.312 0.000 1.071 522 M CB 0.154 32.380 32.600 -0.623 0.000 1.763 522 M HN 0.604 nan 8.290 nan 0.000 0.452 523 D N 4.579 124.754 120.400 -0.375 0.000 2.500 523 D HA 0.067 4.707 4.640 -0.001 0.000 0.219 523 D C -0.139 175.968 176.300 -0.321 0.000 1.137 523 D CA 0.109 53.968 54.000 -0.235 0.000 0.946 523 D CB -0.001 40.726 40.800 -0.122 0.000 1.022 523 D HN 0.803 nan 8.370 nan 0.000 0.518 524 W N 1.604 122.833 121.300 -0.118 0.000 2.699 524 W HA -0.062 4.597 4.660 -0.001 0.000 0.249 524 W C 2.081 178.534 176.519 -0.111 0.000 1.280 524 W CA -0.254 56.992 57.345 -0.165 0.000 1.345 524 W CB 0.441 29.785 29.460 -0.194 0.000 1.128 524 W HN 0.350 nan 8.180 nan 0.000 0.642 525 Q N -0.525 119.333 119.800 0.095 0.000 2.212 525 Q HA -0.049 4.290 4.340 -0.001 0.000 0.199 525 Q C 2.216 178.232 176.000 0.028 0.000 0.950 525 Q CA 0.707 56.548 55.803 0.064 0.000 0.863 525 Q CB -0.917 27.848 28.738 0.045 0.000 0.944 525 Q HN 0.320 nan 8.270 nan 0.000 0.465 526 L N 0.826 122.044 121.223 -0.007 0.000 2.141 526 L HA -0.006 4.333 4.340 -0.001 0.000 0.209 526 L C 2.034 178.881 176.870 -0.039 0.000 1.094 526 L CA 1.560 56.386 54.840 -0.022 0.000 0.763 526 L CB -0.718 41.319 42.059 -0.037 0.000 0.908 526 L HN 0.128 nan 8.230 nan 0.000 0.437 527 A N -0.898 121.882 122.820 -0.067 0.000 1.969 527 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 527 A C 2.418 179.977 177.584 -0.041 0.000 1.169 527 A CA 1.412 53.405 52.037 -0.073 0.000 0.635 527 A CB -0.866 18.030 19.000 -0.173 0.000 0.810 527 A HN 0.461 nan 8.150 nan 0.000 0.445 528 A N -0.735 122.100 122.820 0.025 0.000 1.969 528 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 528 A C 2.019 179.613 177.584 0.017 0.000 1.169 528 A CA 1.473 53.548 52.037 0.063 0.000 0.635 528 A CB -0.464 18.596 19.000 0.100 0.000 0.810 528 A HN 0.641 nan 8.150 nan 0.000 0.445 529 Q N -0.702 119.086 119.800 -0.020 0.000 2.369 529 Q HA -0.138 4.201 4.340 -0.001 0.000 0.206 529 Q C 2.066 178.008 176.000 -0.096 0.000 0.963 529 Q CA 0.858 56.650 55.803 -0.019 0.000 0.894 529 Q CB -0.197 28.540 28.738 -0.002 0.000 0.965 529 Q HN 0.797 nan 8.270 nan 0.000 0.475 530 R N 0.330 120.677 120.500 -0.255 0.000 2.261 530 R HA -0.217 4.123 4.340 -0.001 0.000 0.236 530 R C 1.031 177.097 176.300 -0.390 0.000 1.141 530 R CA 1.461 57.300 56.100 -0.434 0.000 1.001 530 R CB -0.179 29.592 30.300 -0.882 0.000 0.866 530 R HN 0.411 nan 8.270 nan 0.000 0.468 531 H N 0.431 119.442 119.070 -0.099 0.000 2.329 531 H HA -0.015 4.540 4.556 -0.001 0.000 0.306 531 H C 0.261 175.579 175.328 -0.017 0.000 1.062 531 H CA 0.695 56.711 56.048 -0.052 0.000 1.364 531 H CB -0.579 29.163 29.762 -0.034 0.000 1.409 531 H HN 0.256 nan 8.280 nan 0.000 0.519 532 D N 1.850 122.313 120.400 0.106 0.000 2.376 532 D HA 0.027 4.666 4.640 -0.001 0.000 0.278 532 D C 1.181 177.510 176.300 0.048 0.000 1.384 532 D CA 0.184 54.224 54.000 0.066 0.000 1.033 532 D CB 0.375 41.205 40.800 0.050 0.000 1.102 532 D HN 0.247 nan 8.370 nan 0.000 0.530 533 A N 4.533 127.384 122.820 0.053 0.000 2.084 533 A HA -0.223 4.096 4.320 -0.001 0.000 0.221 533 A C 2.008 179.616 177.584 0.040 0.000 1.161 533 A CA 1.439 53.505 52.037 0.048 0.000 0.653 533 A CB -0.125 18.904 19.000 0.048 0.000 0.802 533 A HN 0.465 nan 8.150 nan 0.000 0.457 534 K N 0.767 121.188 120.400 0.036 0.000 2.400 534 K HA 0.040 4.359 4.320 -0.001 0.000 0.194 534 K C 0.917 177.535 176.600 0.030 0.000 1.033 534 K CA 0.710 57.016 56.287 0.031 0.000 1.021 534 K CB -0.228 32.289 32.500 0.028 0.000 0.808 534 K HN 0.531 nan 8.250 nan 0.000 0.505 535 S N -0.307 115.412 115.700 0.031 0.000 2.617 535 S HA 0.083 4.552 4.470 -0.001 0.000 0.269 535 S C 1.179 175.799 174.600 0.033 0.000 1.292 535 S CA -0.607 57.610 58.200 0.030 0.000 1.010 535 S CB 1.001 64.216 63.200 0.025 0.000 0.944 535 S HN 0.172 nan 8.310 nan 0.000 0.536 536 L N 2.092 123.335 121.223 0.034 0.000 1.994 536 L HA -0.039 4.300 4.340 -0.001 0.000 0.208 536 L C 2.413 179.312 176.870 0.048 0.000 1.071 536 L CA 2.224 57.087 54.840 0.039 0.000 0.745 536 L CB -1.508 40.574 42.059 0.039 0.000 0.892 536 L HN 0.834 nan 8.230 nan 0.000 0.431 537 S N 0.088 115.815 115.700 0.046 0.000 2.359 537 S HA -0.132 4.337 4.470 -0.001 0.000 0.224 537 S C 1.893 176.539 174.600 0.077 0.000 1.035 537 S CA 1.216 59.451 58.200 0.059 0.000 1.018 537 S CB -1.178 62.042 63.200 0.034 0.000 0.876 537 S HN 0.736 nan 8.310 nan 0.000 0.448 538 G N 0.898 109.723 108.800 0.041 0.000 2.432 538 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.219 538 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.219 538 G C 1.427 176.381 174.900 0.090 0.000 1.135 538 G CA 1.450 46.575 45.100 0.042 0.000 0.767 538 G HN 0.489 nan 8.290 nan 0.000 0.550 539 T N 0.778 115.373 114.554 0.068 0.000 2.732 539 T HA -0.084 4.266 4.350 -0.001 0.000 0.261 539 T C 2.577 177.313 174.700 0.060 0.000 1.040 539 T CA 1.181 63.315 62.100 0.057 0.000 1.145 539 T CB -0.335 68.557 68.868 0.039 0.000 0.866 539 T HN 0.044 nan 8.240 nan 0.000 0.427 540 V N 0.634 120.586 119.914 0.063 0.000 2.332 540 V HA -0.200 3.920 4.120 -0.001 0.000 0.248 540 V C 2.078 178.199 176.094 0.044 0.000 1.055 540 V CA 1.726 64.052 62.300 0.044 0.000 1.038 540 V CB -0.743 31.112 31.823 0.052 0.000 0.651 540 V HN 0.499 nan 8.190 nan 0.000 0.450 541 Y N 0.861 121.143 120.300 -0.029 0.000 2.224 541 Y HA -0.225 4.324 4.550 -0.001 0.000 0.289 541 Y C 2.778 178.649 175.900 -0.047 0.000 1.146 541 Y CA 2.134 60.209 58.100 -0.040 0.000 1.182 541 Y CB -0.201 38.241 38.460 -0.030 0.000 0.983 541 Y HN 0.055 nan 8.280 nan 0.000 0.524 542 R N -0.003 120.596 120.500 0.165 0.000 2.075 542 R HA -0.123 4.217 4.340 -0.001 0.000 0.232 542 R C 2.331 178.614 176.300 -0.028 0.000 1.126 542 R CA 1.212 57.363 56.100 0.086 0.000 0.963 542 R CB -0.033 30.320 30.300 0.089 0.000 0.858 542 R HN 0.265 nan 8.270 nan 0.000 0.435 543 R N 0.566 121.042 120.500 -0.039 0.000 2.073 543 R HA -0.124 4.216 4.340 -0.001 0.000 0.234 543 R C 2.404 178.626 176.300 -0.129 0.000 1.134 543 R CA 1.154 57.209 56.100 -0.075 0.000 0.952 543 R CB -0.757 29.510 30.300 -0.055 0.000 0.850 543 R HN 0.312 nan 8.270 nan 0.000 0.433 544 L N 0.257 121.381 121.223 -0.165 0.000 2.017 544 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 544 L C 2.755 179.487 176.870 -0.230 0.000 1.073 544 L CA 1.195 55.905 54.840 -0.217 0.000 0.745 544 L CB -0.457 41.418 42.059 -0.307 0.000 0.894 544 L HN 0.059 nan 8.230 nan 0.000 0.432 545 R N 0.685 121.011 120.500 -0.290 0.000 2.117 545 R HA -0.141 4.198 4.340 -0.001 0.000 0.243 545 R C 2.134 178.350 176.300 -0.140 0.000 1.143 545 R CA 1.547 57.498 56.100 -0.248 0.000 0.968 545 R CB -0.970 29.187 30.300 -0.238 0.000 0.863 545 R HN 0.374 nan 8.270 nan 0.000 0.444 546 G N 0.178 108.900 108.800 -0.129 0.000 2.453 546 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.215 546 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.215 546 G C 1.384 176.188 174.900 -0.159 0.000 1.201 546 G CA 0.959 45.988 45.100 -0.118 0.000 0.784 546 G HN 0.334 nan 8.290 nan 0.000 0.545 547 L N 0.274 121.359 121.223 -0.230 0.000 2.127 547 L HA -0.031 4.308 4.340 -0.001 0.000 0.211 547 L C 2.807 179.606 176.870 -0.119 0.000 1.089 547 L CA 0.564 55.203 54.840 -0.335 0.000 0.757 547 L CB -0.286 41.566 42.059 -0.345 0.000 0.899 547 L HN 0.237 nan 8.230 nan 0.000 0.434 548 I N -0.760 119.769 120.570 -0.069 0.000 2.286 548 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 548 I C 2.804 178.936 176.117 0.025 0.000 1.104 548 I CA 1.019 62.318 61.300 -0.002 0.000 1.397 548 I CB -0.319 37.654 38.000 -0.046 0.000 1.072 548 I HN 0.231 nan 8.210 nan 0.000 0.417 549 R N 0.792 121.290 120.500 -0.004 0.000 2.092 549 R HA -0.231 4.108 4.340 -0.001 0.000 0.231 549 R C 2.348 178.678 176.300 0.050 0.000 1.119 549 R CA 1.538 57.648 56.100 0.017 0.000 0.970 549 R CB -0.075 30.224 30.300 -0.002 0.000 0.864 549 R HN 0.210 nan 8.270 nan 0.000 0.440 550 Q N 1.145 120.981 119.800 0.060 0.000 2.046 550 Q HA -0.186 4.153 4.340 -0.001 0.000 0.200 550 Q C 2.010 178.170 176.000 0.267 0.000 0.975 550 Q CA 2.276 58.170 55.803 0.152 0.000 0.836 550 Q CB -0.147 28.676 28.738 0.142 0.000 0.896 550 Q HN 0.469 nan 8.270 nan 0.000 0.428 551 R N -0.280 120.425 120.500 0.342 0.000 2.120 551 R HA 0.042 4.381 4.340 -0.001 0.000 0.234 551 R C 2.015 178.377 176.300 0.103 0.000 1.123 551 R CA 1.531 57.791 56.100 0.267 0.000 0.975 551 R CB -1.066 29.409 30.300 0.293 0.000 0.866 551 R HN 0.176 nan 8.270 nan 0.000 0.446 552 A N 0.807 123.688 122.820 0.103 0.000 2.070 552 A HA 0.136 4.455 4.320 -0.001 0.000 0.220 552 A C 2.192 179.814 177.584 0.063 0.000 1.159 552 A CA 1.265 53.356 52.037 0.089 0.000 0.656 552 A CB -0.509 18.547 19.000 0.095 0.000 0.800 552 A HN 0.554 nan 8.150 nan 0.000 0.453 553 A N -1.022 121.831 122.820 0.054 0.000 2.345 553 A HA 0.553 4.872 4.320 -0.001 0.000 0.225 553 A C 0.406 177.995 177.584 0.008 0.000 1.243 553 A CA -0.186 51.867 52.037 0.027 0.000 0.875 553 A CB -0.165 18.850 19.000 0.025 0.000 0.929 553 A HN 0.333 nan 8.150 nan 0.000 0.502 554 L N -0.000 121.217 121.223 -0.010 0.000 2.356 554 L HA 0.335 4.674 4.340 -0.001 0.000 0.264 554 L C 1.567 178.379 176.870 -0.096 0.000 1.029 554 L CA -0.546 54.254 54.840 -0.066 0.000 0.897 554 L CB 1.232 43.204 42.059 -0.145 0.000 1.256 554 L HN 0.329 nan 8.230 nan 0.000 0.444 555 G N 1.577 110.342 108.800 -0.060 0.000 2.485 555 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.221 555 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.221 555 G C 1.524 176.369 174.900 -0.091 0.000 1.115 555 G CA 1.030 46.096 45.100 -0.057 0.000 0.751 555 G HN 0.708 nan 8.290 nan 0.000 0.567 556 A N -0.169 122.582 122.820 -0.115 0.000 2.125 556 A HA 0.179 4.498 4.320 -0.001 0.000 0.219 556 A C 2.047 179.491 177.584 -0.232 0.000 1.156 556 A CA 0.941 52.895 52.037 -0.138 0.000 0.671 556 A CB -0.138 18.799 19.000 -0.104 0.000 0.794 556 A HN 0.310 nan 8.150 nan 0.000 0.459 557 L N -0.870 120.177 121.223 -0.294 0.000 2.567 557 L HA 0.305 4.644 4.340 -0.001 0.000 0.225 557 L C 1.522 178.277 176.870 -0.193 0.000 1.119 557 L CA 0.361 55.004 54.840 -0.329 0.000 0.871 557 L CB -0.867 40.944 42.059 -0.414 0.000 1.036 557 L HN 0.323 nan 8.230 nan 0.000 0.459 558 A N -0.342 122.390 122.820 -0.147 0.000 2.547 558 A HA 0.288 4.608 4.320 -0.001 0.000 0.233 558 A C 1.729 179.232 177.584 -0.135 0.000 1.067 558 A CA 0.663 52.623 52.037 -0.127 0.000 0.763 558 A CB 0.146 19.089 19.000 -0.095 0.000 1.007 558 A HN 0.367 nan 8.150 nan 0.000 0.506 559 A N 0.882 123.603 122.820 -0.165 0.000 2.019 559 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 559 A C 1.582 179.075 177.584 -0.152 0.000 1.164 559 A CA 1.739 53.677 52.037 -0.165 0.000 0.644 559 A CB -0.582 18.270 19.000 -0.247 0.000 0.805 559 A HN 0.905 nan 8.150 nan 0.000 0.449 560 D N -0.418 119.894 120.400 -0.147 0.000 2.269 560 D HA -0.091 4.548 4.640 -0.001 0.000 0.208 560 D C 0.211 176.451 176.300 -0.100 0.000 0.963 560 D CA 0.329 54.249 54.000 -0.133 0.000 0.864 560 D CB -0.359 40.371 40.800 -0.118 0.000 0.936 560 D HN 0.326 nan 8.370 nan 0.000 0.505 561 Q N 0.930 120.677 119.800 -0.088 0.000 2.394 561 Q HA 0.426 4.765 4.340 -0.001 0.000 0.248 561 Q C 0.054 176.023 176.000 -0.051 0.000 0.992 561 Q CA -0.294 55.468 55.803 -0.067 0.000 0.888 561 Q CB 0.950 29.642 28.738 -0.077 0.000 1.257 561 Q HN 0.206 nan 8.270 nan 0.000 0.462 562 A N 1.764 124.566 122.820 -0.030 0.000 2.425 562 A HA 0.348 4.667 4.320 -0.001 0.000 0.242 562 A C -0.488 177.103 177.584 0.013 0.000 1.077 562 A CA -0.292 51.741 52.037 -0.007 0.000 0.781 562 A CB 0.183 19.183 19.000 0.000 0.000 1.020 562 A HN 0.528 nan 8.150 nan 0.000 0.494 563 L N 1.514 122.762 121.223 0.042 0.000 2.349 563 L HA 0.803 5.142 4.340 -0.001 0.000 0.278 563 L C -0.105 176.809 176.870 0.072 0.000 0.996 563 L CA 0.348 55.227 54.840 0.066 0.000 0.825 563 L CB 1.197 43.324 42.059 0.112 0.000 1.243 563 L HN 1.153 nan 8.230 nan 0.000 0.412 564 A N 3.037 125.897 122.820 0.066 0.000 2.583 564 A HA 0.899 5.218 4.320 -0.001 0.000 0.289 564 A C -1.362 176.268 177.584 0.077 0.000 1.151 564 A CA -0.329 51.749 52.037 0.069 0.000 0.695 564 A CB 1.752 20.786 19.000 0.057 0.000 1.290 564 A HN 0.713 nan 8.150 nan 0.000 0.419 565 S N -0.376 115.392 115.700 0.113 0.000 2.541 565 S HA 0.671 5.141 4.470 -0.001 0.000 0.280 565 S C -1.139 173.619 174.600 0.263 0.000 1.112 565 S CA -0.502 57.809 58.200 0.185 0.000 0.925 565 S CB 0.607 64.007 63.200 0.334 0.000 1.067 565 S HN 0.593 nan 8.310 nan 0.000 0.479 566 I N 3.766 124.431 120.570 0.157 0.000 2.342 566 I HA 0.390 4.559 4.170 -0.001 0.000 0.291 566 I C 0.784 176.870 176.117 -0.052 0.000 1.010 566 I CA -0.616 60.731 61.300 0.079 0.000 1.308 566 I CB 1.275 39.275 38.000 0.002 0.000 1.400 566 I HN 0.780 nan 8.210 nan 0.000 0.488 567 A N 7.775 130.510 122.820 -0.141 0.000 2.491 567 A HA 0.478 4.798 4.320 -0.001 0.000 0.261 567 A C -0.546 176.904 177.584 -0.223 0.000 1.101 567 A CA 0.066 51.842 52.037 -0.435 0.000 0.772 567 A CB -0.060 18.817 19.000 -0.205 0.000 1.043 567 A HN 0.500 nan 8.150 nan 0.000 0.501 568 L N 1.873 122.959 121.223 -0.230 0.000 2.323 568 L HA 0.420 4.759 4.340 -0.001 0.000 0.265 568 L C 0.800 177.618 176.870 -0.087 0.000 1.012 568 L CA -0.397 54.377 54.840 -0.109 0.000 0.820 568 L CB 1.761 43.781 42.059 -0.064 0.000 1.334 568 L HN 0.809 nan 8.230 nan 0.000 0.427 569 N N -1.320 117.349 118.700 -0.050 0.000 2.336 569 N HA 0.026 4.765 4.740 -0.001 0.000 0.189 569 N C -0.287 175.209 175.510 -0.023 0.000 1.113 569 N CA -0.147 52.882 53.050 -0.035 0.000 0.858 569 N CB 0.013 38.485 38.487 -0.025 0.000 0.970 569 N HN 0.427 nan 8.380 nan 0.000 0.471 570 D N 0.940 121.329 120.400 -0.019 0.000 2.396 570 D HA 0.231 4.870 4.640 -0.001 0.000 0.225 570 D C -1.682 174.618 176.300 0.000 0.000 1.121 570 D CA -2.286 51.711 54.000 -0.006 0.000 0.853 570 D CB 1.563 42.364 40.800 0.002 0.000 1.043 570 D HN -0.046 nan 8.370 nan 0.000 0.500 571 P HA -0.102 nan 4.420 nan 0.000 0.220 571 P C 0.966 178.271 177.300 0.007 0.000 1.144 571 P CA 0.954 64.049 63.100 -0.008 0.000 0.800 571 P CB 0.292 31.984 31.700 -0.013 0.000 0.772 572 R N -1.157 119.361 120.500 0.030 0.000 2.193 572 R HA 0.086 4.425 4.340 -0.001 0.000 0.213 572 R C 0.425 176.812 176.300 0.145 0.000 1.055 572 R CA 0.316 56.459 56.100 0.071 0.000 0.995 572 R CB -0.168 30.159 30.300 0.046 0.000 0.893 572 R HN 0.110 nan 8.270 nan 0.000 0.459 573 V N 0.987 120.976 119.914 0.126 0.000 2.612 573 V HA 0.275 4.395 4.120 -0.001 0.000 0.301 573 V C -0.758 175.497 176.094 0.268 0.000 1.046 573 V CA -0.735 61.682 62.300 0.195 0.000 0.946 573 V CB 1.661 33.552 31.823 0.113 0.000 1.003 573 V HN -0.037 nan 8.190 nan 0.000 0.459 574 F N 3.407 123.460 119.950 0.172 0.000 2.539 574 F HA 0.788 5.315 4.527 -0.001 0.000 0.328 574 F C -0.099 175.862 175.800 0.268 0.000 1.148 574 F CA -1.289 56.797 58.000 0.144 0.000 0.940 574 F CB 1.111 40.131 39.000 0.033 0.000 1.194 574 F HN 0.551 nan 8.300 nan 0.000 0.438 575 A N 7.628 130.340 122.820 -0.179 0.000 2.273 575 A HA 0.644 4.964 4.320 -0.001 0.000 0.315 575 A C -1.750 175.551 177.584 -0.472 0.000 1.256 575 A CA -0.657 51.220 52.037 -0.267 0.000 0.851 575 A CB 0.698 19.635 19.000 -0.105 0.000 1.172 575 A HN 0.789 nan 8.150 nan 0.000 0.508 576 L N 3.513 124.429 121.223 -0.510 0.000 2.325 576 L HA 0.789 5.128 4.340 -0.001 0.000 0.278 576 L C -0.067 176.732 176.870 -0.118 0.000 1.023 576 L CA 0.100 54.736 54.840 -0.339 0.000 0.811 576 L CB 1.851 43.734 42.059 -0.294 0.000 1.249 576 L HN 0.858 nan 8.230 nan 0.000 0.431 577 T N 2.445 116.990 114.554 -0.015 0.000 2.876 577 T HA 0.693 5.042 4.350 -0.001 0.000 0.289 577 T C -0.422 174.348 174.700 0.117 0.000 1.014 577 T CA -0.947 61.182 62.100 0.049 0.000 0.986 577 T CB 2.149 71.025 68.868 0.014 0.000 1.021 577 T HN 0.567 nan 8.240 nan 0.000 0.458 578 R N 1.492 122.116 120.500 0.206 0.000 2.476 578 R HA 0.668 5.008 4.340 -0.001 0.000 0.305 578 R C 1.043 177.371 176.300 0.047 0.000 0.965 578 R CA 0.174 56.313 56.100 0.065 0.000 0.867 578 R CB 0.989 31.205 30.300 -0.138 0.000 1.176 578 R HN 1.308 nan 8.270 nan 0.000 0.447 579 G N 3.408 112.213 108.800 0.007 0.000 2.574 579 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.286 579 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.286 579 G C -0.008 174.906 174.900 0.022 0.000 1.212 579 G CA 0.659 45.761 45.100 0.003 0.000 0.979 579 G HN 0.694 nan 8.290 nan 0.000 0.557 580 D N -0.549 119.865 120.400 0.024 0.000 2.527 580 D HA 0.236 4.875 4.640 -0.001 0.000 0.224 580 D C 1.584 177.904 176.300 0.034 0.000 1.217 580 D CA 1.122 55.137 54.000 0.025 0.000 0.819 580 D CB 0.184 40.993 40.800 0.015 0.000 1.061 580 D HN 0.966 nan 8.370 nan 0.000 0.515 581 S N -0.791 114.942 115.700 0.055 0.000 2.632 581 S HA 0.239 4.708 4.470 -0.001 0.000 0.237 581 S C 0.034 174.698 174.600 0.107 0.000 1.037 581 S CA -0.693 57.547 58.200 0.066 0.000 1.009 581 S CB 0.011 63.247 63.200 0.059 0.000 0.974 581 S HN 0.157 nan 8.310 nan 0.000 0.544 582 F N 1.623 121.527 119.950 -0.077 0.000 2.520 582 F HA 0.788 5.315 4.527 -0.001 0.000 0.322 582 F C -1.033 174.681 175.800 -0.144 0.000 1.103 582 F CA -1.458 56.467 58.000 -0.125 0.000 0.926 582 F CB 1.577 40.459 39.000 -0.196 0.000 1.154 582 F HN 0.157 nan 8.300 nan 0.000 0.453 583 I N 4.980 124.988 120.570 -0.937 0.000 2.656 583 I HA 0.753 4.923 4.170 -0.001 0.000 0.292 583 I C -1.768 173.706 176.117 -1.072 0.000 1.144 583 I CA -0.665 60.183 61.300 -0.754 0.000 1.038 583 I CB 1.785 39.576 38.000 -0.349 0.000 1.244 583 I HN 0.832 nan 8.210 nan 0.000 0.420 584 A N 8.245 130.615 122.820 -0.749 0.000 2.330 584 A HA 0.757 5.077 4.320 -0.001 0.000 0.313 584 A C -1.422 175.917 177.584 -0.408 0.000 1.124 584 A CA -0.552 51.169 52.037 -0.527 0.000 0.774 584 A CB 1.084 19.917 19.000 -0.278 0.000 1.198 584 A HN 0.678 nan 8.150 nan 0.000 0.465 585 L N 3.700 124.693 121.223 -0.383 0.000 2.317 585 L HA 0.519 4.858 4.340 -0.001 0.000 0.281 585 L C -0.473 176.175 176.870 -0.371 0.000 1.024 585 L CA -0.567 54.115 54.840 -0.264 0.000 0.810 585 L CB 1.367 43.349 42.059 -0.129 0.000 1.240 585 L HN 0.716 nan 8.230 nan 0.000 0.427 586 H N 2.395 121.541 119.070 0.127 0.000 2.667 586 H HA 0.204 4.759 4.556 -0.001 0.000 0.353 586 H C -1.127 174.369 175.328 0.279 0.000 1.072 586 H CA -0.581 55.618 56.048 0.251 0.000 1.214 586 H CB 2.388 32.471 29.762 0.534 0.000 1.600 586 H HN 0.573 nan 8.280 nan 0.000 0.527 587 N N 3.096 121.939 118.700 0.240 0.000 2.546 587 N HA 0.109 4.848 4.740 -0.001 0.000 0.238 587 N C -0.387 175.177 175.510 0.090 0.000 0.984 587 N CA -0.411 52.731 53.050 0.153 0.000 0.935 587 N CB 0.451 38.950 38.487 0.020 0.000 1.122 587 N HN 0.322 nan 8.380 nan 0.000 0.510 588 F N 1.680 121.685 119.950 0.091 0.000 2.693 588 F HA 0.098 4.624 4.527 -0.001 0.000 0.303 588 F C 1.272 177.071 175.800 -0.002 0.000 1.143 588 F CA -0.207 57.865 58.000 0.119 0.000 1.389 588 F CB -0.174 38.881 39.000 0.092 0.000 1.060 588 F HN 0.303 nan 8.300 nan 0.000 0.535 589 S N -1.314 114.317 115.700 -0.116 0.000 2.704 589 S HA 0.328 4.798 4.470 -0.001 0.000 0.305 589 S C 0.462 174.636 174.600 -0.710 0.000 1.107 589 S CA -0.538 57.506 58.200 -0.260 0.000 0.993 589 S CB 1.620 64.755 63.200 -0.107 0.000 1.110 589 S HN 0.165 nan 8.310 nan 0.000 0.534 590 D N -0.415 119.666 120.400 -0.533 0.000 2.328 590 D HA 0.099 4.738 4.640 -0.001 0.000 0.221 590 D C 0.098 176.264 176.300 -0.224 0.000 1.072 590 D CA 0.117 53.823 54.000 -0.490 0.000 0.850 590 D CB -0.282 40.444 40.800 -0.123 0.000 0.922 590 D HN 0.597 nan 8.370 nan 0.000 0.516 591 Q N 0.158 119.850 119.800 -0.181 0.000 2.245 591 Q HA 0.422 4.761 4.340 -0.001 0.000 0.256 591 Q C -0.690 175.259 176.000 -0.085 0.000 0.942 591 Q CA -1.230 54.515 55.803 -0.095 0.000 0.896 591 Q CB 2.481 31.182 28.738 -0.061 0.000 1.272 591 Q HN 0.174 nan 8.270 nan 0.000 0.442 592 L N 3.579 124.770 121.223 -0.054 0.000 2.426 592 L HA 0.349 4.688 4.340 -0.001 0.000 0.271 592 L C -1.177 175.673 176.870 -0.032 0.000 1.169 592 L CA 0.167 54.983 54.840 -0.041 0.000 0.836 592 L CB 0.328 42.372 42.059 -0.026 0.000 1.112 592 L HN 0.621 nan 8.230 nan 0.000 0.465 593 L N 1.586 122.793 121.223 -0.027 0.000 2.933 593 L HA 0.741 5.080 4.340 -0.001 0.000 0.271 593 L C -1.673 175.188 176.870 -0.015 0.000 1.071 593 L CA -0.890 53.939 54.840 -0.019 0.000 0.938 593 L CB 1.492 43.541 42.059 -0.017 0.000 1.534 593 L HN 0.685 nan 8.230 nan 0.000 0.396 594 D N -0.440 119.952 120.400 -0.013 0.000 2.645 594 D HA 0.574 5.213 4.640 -0.001 0.000 0.228 594 D C -1.381 174.911 176.300 -0.013 0.000 1.148 594 D CA -0.484 53.507 54.000 -0.014 0.000 0.860 594 D CB 2.610 43.400 40.800 -0.016 0.000 1.548 594 D HN 0.457 nan 8.370 nan 0.000 0.460 595 V N 1.240 121.145 119.914 -0.016 0.000 2.370 595 V HA 0.226 4.346 4.120 -0.001 0.000 0.283 595 V C 0.322 176.403 176.094 -0.022 0.000 1.023 595 V CA -0.750 61.540 62.300 -0.017 0.000 0.857 595 V CB 1.057 32.868 31.823 -0.020 0.000 0.985 595 V HN 0.624 nan 8.190 nan 0.000 0.443 596 E N 3.441 123.628 120.200 -0.021 0.000 2.324 596 E HA 0.183 4.532 4.350 -0.001 0.000 0.271 596 E C 0.898 177.482 176.600 -0.026 0.000 1.028 596 E CA -0.306 56.081 56.400 -0.022 0.000 0.890 596 E CB 0.864 30.553 29.700 -0.020 0.000 1.004 596 E HN 0.633 nan 8.360 nan 0.000 0.431 597 L N 3.784 124.991 121.223 -0.027 0.000 2.189 597 L HA -0.238 4.101 4.340 -0.001 0.000 0.214 597 L C 2.162 179.017 176.870 -0.026 0.000 1.097 597 L CA 1.217 56.039 54.840 -0.029 0.000 0.764 597 L CB -0.564 41.477 42.059 -0.030 0.000 0.900 597 L HN 0.662 nan 8.230 nan 0.000 0.436 598 A N -0.017 122.790 122.820 -0.022 0.000 2.121 598 A HA 0.027 4.347 4.320 -0.001 0.000 0.218 598 A C 2.398 179.970 177.584 -0.020 0.000 1.154 598 A CA 1.342 53.367 52.037 -0.019 0.000 0.679 598 A CB -0.382 18.608 19.000 -0.017 0.000 0.795 598 A HN 0.394 nan 8.150 nan 0.000 0.458 599 A N -0.174 122.632 122.820 -0.023 0.000 2.169 599 A HA 0.306 4.625 4.320 -0.001 0.000 0.212 599 A C 1.582 179.149 177.584 -0.028 0.000 1.153 599 A CA 1.007 53.029 52.037 -0.025 0.000 0.756 599 A CB -0.475 18.510 19.000 -0.026 0.000 0.813 599 A HN 0.955 nan 8.150 nan 0.000 0.471 600 I N -5.963 114.589 120.570 -0.029 0.000 4.225 600 I HA 0.459 4.629 4.170 -0.001 0.000 0.327 600 I C 0.894 176.995 176.117 -0.027 0.000 1.422 600 I CA 0.109 61.389 61.300 -0.032 0.000 1.150 600 I CB -0.028 37.944 38.000 -0.046 0.000 1.192 600 I HN 0.182 nan 8.210 nan 0.000 0.440 601 G N 3.043 111.831 108.800 -0.021 0.000 2.372 601 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.297 601 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.297 601 G C -0.032 174.858 174.900 -0.017 0.000 1.005 601 G CA 0.664 45.755 45.100 -0.016 0.000 1.173 601 G HN 0.948 nan 8.290 nan 0.000 0.511 602 V N -3.845 116.056 119.914 -0.021 0.000 3.329 602 V HA 1.016 5.135 4.120 -0.001 0.000 0.308 602 V C 0.063 176.145 176.094 -0.021 0.000 1.375 602 V CA 0.099 62.387 62.300 -0.020 0.000 1.015 602 V CB 2.195 34.001 31.823 -0.029 0.000 1.155 602 V HN 0.561 nan 8.190 nan 0.000 0.479 603 D N -1.096 119.290 120.400 -0.022 0.000 3.809 603 D HA 0.453 5.092 4.640 -0.001 0.000 0.144 603 D C -0.290 175.988 176.300 -0.036 0.000 1.034 603 D CA 0.928 54.909 54.000 -0.031 0.000 1.724 603 D CB -0.166 40.617 40.800 -0.028 0.000 0.877 603 D HN 1.389 nan 8.370 nan 0.000 0.858 604 G N -0.543 108.238 108.800 -0.032 0.000 2.677 604 G HA2 0.367 4.326 3.960 -0.001 0.000 0.283 604 G HA3 0.367 4.326 3.960 -0.001 0.000 0.283 604 G C -0.996 173.897 174.900 -0.013 0.000 1.221 604 G CA -0.775 44.305 45.100 -0.034 0.000 0.851 604 G HN 0.059 nan 8.290 nan 0.000 0.504 605 W N 0.370 121.665 121.300 -0.010 0.000 2.456 605 W HA 0.376 5.036 4.660 -0.000 0.000 0.343 605 W C 0.828 177.345 176.519 -0.002 0.000 1.211 605 W CA 1.490 58.836 57.345 0.000 0.000 1.353 605 W CB 0.634 30.103 29.460 0.014 0.000 1.189 605 W HN 0.419 nan 8.180 nan 0.000 0.587 606 T N 4.261 119.242 114.554 0.713 0.000 2.841 606 T HA 0.427 4.777 4.350 -0.001 0.000 0.285 606 T C -0.238 174.695 174.700 0.389 0.000 0.991 606 T CA -0.945 61.396 62.100 0.401 0.000 0.966 606 T CB 0.376 69.391 68.868 0.246 0.000 0.962 606 T HN 0.155 nan 8.240 nan 0.000 0.438 607 L N 3.860 125.230 121.223 0.246 0.000 2.671 607 L HA 0.528 4.868 4.340 -0.001 0.000 0.188 607 L C 1.430 178.378 176.870 0.131 0.000 1.165 607 L CA -0.311 54.639 54.840 0.184 0.000 0.926 607 L CB -0.280 41.972 42.059 0.322 0.000 1.664 607 L HN 0.667 nan 8.230 nan 0.000 0.512 621 G N 1.041 109.689 108.800 -0.253 0.000 2.350 621 G HA2 0.326 4.285 3.960 -0.001 0.000 0.306 621 G HA3 0.326 4.285 3.960 -0.001 0.000 0.306 621 G C -0.839 173.990 174.900 -0.119 0.000 1.094 621 G CA 0.237 45.255 45.100 -0.135 0.000 0.953 621 G HN 0.008 nan 8.290 nan 0.000 0.420 622 D N 1.849 122.193 120.400 -0.093 0.000 2.381 622 D HA 0.490 5.129 4.640 -0.001 0.000 0.245 622 D C 0.301 176.567 176.300 -0.056 0.000 1.297 622 D CA 0.625 54.580 54.000 -0.075 0.000 0.931 622 D CB 0.681 41.433 40.800 -0.081 0.000 1.334 622 D HN 0.999 nan 8.370 nan 0.000 0.535 623 G N 1.314 110.086 108.800 -0.047 0.000 2.440 623 G HA2 0.106 4.065 3.960 -0.001 0.000 0.684 623 G HA3 0.106 4.065 3.960 -0.001 0.000 0.684 623 G C -0.088 174.791 174.900 -0.035 0.000 1.309 623 G CA -0.323 44.755 45.100 -0.037 0.000 0.931 623 G HN 0.719 nan 8.290 nan 0.000 0.612 624 S N -1.101 114.581 115.700 -0.029 0.000 2.563 624 S HA 0.401 4.871 4.470 -0.001 0.000 0.269 624 S C 0.520 175.103 174.600 -0.028 0.000 1.364 624 S CA 0.412 58.596 58.200 -0.028 0.000 1.010 624 S CB 0.446 63.632 63.200 -0.023 0.000 0.877 624 S HN 1.078 nan 8.310 nan 0.000 0.549 625 I N 2.001 122.555 120.570 -0.028 0.000 2.312 625 I HA 0.276 4.445 4.170 -0.001 0.000 0.290 625 I C -0.539 175.565 176.117 -0.022 0.000 1.008 625 I CA -0.810 60.474 61.300 -0.027 0.000 1.226 625 I CB 1.593 39.574 38.000 -0.031 0.000 1.371 625 I HN 0.434 nan 8.210 nan 0.000 0.468 626 V N 7.916 127.818 119.914 -0.020 0.000 2.488 626 V HA 0.258 4.378 4.120 -0.001 0.000 0.277 626 V C 0.121 176.205 176.094 -0.017 0.000 1.046 626 V CA -0.265 62.025 62.300 -0.017 0.000 0.986 626 V CB 0.850 32.664 31.823 -0.016 0.000 0.989 626 V HN 0.445 nan 8.190 nan 0.000 0.475 627 L N 7.777 128.990 121.223 -0.017 0.000 2.319 627 L HA 0.490 4.830 4.340 -0.001 0.000 0.281 627 L C -2.460 174.396 176.870 -0.023 0.000 1.005 627 L CA -1.749 53.081 54.840 -0.017 0.000 0.828 627 L CB 1.864 43.917 42.059 -0.010 0.000 1.227 627 L HN 0.420 nan 8.230 nan 0.000 0.415 628 P HA 0.195 nan 4.420 nan 0.000 0.282 628 P C -2.560 174.709 177.300 -0.051 0.000 1.286 628 P CA -1.273 61.811 63.100 -0.027 0.000 0.777 628 P CB -0.172 31.522 31.700 -0.011 0.000 1.184 629 P HA 0.005 nan 4.420 nan 0.000 0.268 629 P C -0.729 176.513 177.300 -0.096 0.000 1.204 629 P CA 0.578 63.566 63.100 -0.187 0.000 0.768 629 P CB -0.364 31.242 31.700 -0.158 0.000 0.842 630 Y N -0.325 119.938 120.300 -0.062 0.000 3.721 630 Y HA -0.209 4.341 4.550 -0.001 0.000 0.218 630 Y C 1.281 177.111 175.900 -0.117 0.000 1.188 630 Y CA 1.162 59.179 58.100 -0.137 0.000 1.607 630 Y CB -2.369 36.008 38.460 -0.137 0.000 1.496 630 Y HN 0.437 nan 8.280 nan 0.000 0.626 631 G N -0.456 108.354 108.800 0.017 0.000 2.412 631 G HA2 0.564 4.523 3.960 -0.001 0.000 0.318 631 G HA3 0.564 4.523 3.960 -0.001 0.000 0.318 631 G C -0.928 173.972 174.900 -0.000 0.000 1.146 631 G CA -0.160 44.944 45.100 0.005 0.000 0.882 631 G HN 0.346 nan 8.290 nan 0.000 0.501 632 V N 1.452 121.353 119.914 -0.022 0.000 2.735 632 V HA 0.903 5.022 4.120 -0.001 0.000 0.310 632 V C -0.744 175.309 176.094 -0.068 0.000 1.061 632 V CA -1.153 61.111 62.300 -0.059 0.000 0.913 632 V CB 2.077 33.891 31.823 -0.014 0.000 1.005 632 V HN 0.841 nan 8.190 nan 0.000 0.428 633 R N 4.473 124.937 120.500 -0.060 0.000 2.574 633 R HA 0.540 4.879 4.340 -0.001 0.000 0.288 633 R C -2.175 174.208 176.300 0.138 0.000 1.004 633 R CA -0.370 55.735 56.100 0.008 0.000 0.895 633 R CB 1.452 31.741 30.300 -0.017 0.000 1.191 633 R HN 0.711 nan 8.270 nan 0.000 0.444 634 W N 5.691 126.909 121.300 -0.136 0.000 2.433 634 W HA 0.553 5.212 4.660 -0.001 0.000 0.315 634 W C -0.926 175.492 176.519 -0.168 0.000 1.087 634 W CA -0.622 56.603 57.345 -0.199 0.000 1.205 634 W CB 0.973 30.452 29.460 0.032 0.000 1.288 634 W HN 0.353 nan 8.180 nan 0.000 0.504 635 L N 1.950 123.072 121.223 -0.168 0.000 2.409 635 L HA 0.411 4.750 4.340 -0.001 0.000 0.262 635 L C -0.235 176.576 176.870 -0.098 0.000 0.992 635 L CA -1.095 53.714 54.840 -0.052 0.000 0.817 635 L CB 2.228 44.251 42.059 -0.061 0.000 1.350 635 L HN 0.209 nan 8.230 nan 0.000 0.411 636 Q N 2.591 122.442 119.800 0.084 0.000 2.465 636 Q HA 0.279 4.618 4.340 -0.001 0.000 0.237 636 Q C -0.214 175.849 176.000 0.105 0.000 1.051 636 Q CA -0.666 55.195 55.803 0.097 0.000 0.874 636 Q CB 0.966 29.774 28.738 0.117 0.000 1.207 636 Q HN 0.442 nan 8.270 nan 0.000 0.508 637 R N 2.616 123.135 120.500 0.031 0.000 2.503 637 R HA 0.027 4.366 4.340 -0.001 0.000 0.271 637 R C 0.216 176.553 176.300 0.062 0.000 0.960 637 R CA 1.470 57.585 56.100 0.025 0.000 1.104 637 R CB -0.079 30.223 30.300 0.004 0.000 0.879 637 R HN 0.854 nan 8.270 nan 0.000 0.420 638 G N 0.000 108.828 108.800 0.046 0.000 5.446 638 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 638 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 638 G CA 0.000 45.132 45.100 0.053 0.000 0.502 638 G HN 0.000 nan 8.290 nan 0.000 0.925